4-(4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)-1-butynyl)-α,α-dimethylbenzeneacetic Acid

4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-butyn-1-yl]-α,α-dimethylbenzeneacetic acid
4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-butynyl]-α,α-dimethylbenzeneacetic acid
Benzeneacetic acid, 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-butyn-1-yl]-α,α-dimethyl-
Benzeneacetic acid, 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-butynyl]-α,α-dimethyl-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	LNQJRLLXDQRHIW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C32H35NO3/c1-31(2,30(34)35)26-18-16-25(17-19-26)11-9-10-22-33-23-20-29(21-24-33)32(36,27-12-5-3-6-13-27)28-14-7-4-8-15-28/h3-8,12-19,29,36H,10,20-24H2,1-2H3,(H,34,35)
IUPAC name chemrof:IUPAC_name	4-(4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)-1-butynyl)-α,α-dimethylbenzeneacetic Acid
Molecular formula chemrof:molecular_formula	C32H35NO3
Molecular mass chemrof:molecular_mass	481.636
Monoisotopic mass chemrof:monoisotopic_mass	481.261694
SMILES string chemrof:smiles_string	CC(C)(C(=O)O)c1ccc(C#CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=832088-68-3	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.124.802	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID701020105	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7Z7DFZ8ACY	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/11982796	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q126673626	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
ab149b4b-882a-4980-b6be-87910edf525f	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
5c154c31-bb18-438c-8136-50166ded10b0	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
77325bec-05e9-40a7-b69a-3d134fcdf8bf	Environmental → Air → Indoor	EF 3.1	kg	2
b3a8a1ac-c470-4a4b-b238-271168070b86	Environmental → Air → Long-term	EF 3.1	kg	0
acec85af-4f4c-4405-bd31-35446c52a68e	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
4c341186-1249-4308-8d91-285b5f0bae02	Environmental → Air → Unknown	EF 3.1	kg	2
6080d229-df0d-4c53-9f4a-529a01b3f206	Environmental → Ground → Agricultural	EF 3.1	kg	2
212afe43-db16-4dfd-91be-10f64af69aaf	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
831cbe15-5811-4f63-9db6-2bb61534a298	Environmental → Ground → Unknown	EF 3.1	kg	2
adc330a3-e1f3-4fb1-b2c6-e7c64a61245d	Environmental → Water → Long-term	EF 3.1	kg	0
6b8f4bf3-f188-4320-bcec-e1cb2adc9367	Environmental → Water → Ocean	EF 3.1	kg	2
f1b2553a-53da-46c0-bae6-55f87c7284ad	Environmental → Water → Surface water	EF 3.1	kg	2
92430875-2f2e-43a0-b561-c0670290bbf5	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

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Flow object JSON

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4-(4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)-1-butynyl)-α,α-dimethylbenzeneacetic Acid

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