2-(2-Hydroxy-4-pyrrolidinylbenzoyl)benzoic acid

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H17NO4
Molecular Weight	311.3319
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(2-Hydroxy-4-pyrrolidinylbenzoyl)benzoic acid

Structure Search

SMILES

OC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2O)N3CCCC3

InChI

InChIKey=XUYADCDXDRMDEV-UHFFFAOYSA-N

InChI=1S/C18H17NO4/c20-16-11-12(19-9-3-4-10-19)7-8-15(16)17(21)13-5-1-2-6-14(13)18(22)23/h1-2,5-8,11,20H,3-4,9-10H2,(H,22,23)

HIDE SMILES / InChI

Molecular Formula	C18H17NO4
Molecular Weight	311.3319
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:25:37 GMT 2025` Edited by `admin` on `Tue Apr 01 19:25:37 GMT 2025`
Record UNII	CTB3T39JCJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(2-Hydroxy-4-pyrrolidinylbenzoyl)benzoic acid

Systematic Name

English

2-[2-Hydroxy-4-(1-pyrrolidinyl)benzoyl]benzoic acid

Preferred Name

English

Benzoic acid, 2-[2-hydroxy-4-(1-pyrrolidinyl)benzoyl]-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

256-455-2

Created by admin on Tue Apr 01 19:25:37 GMT 2025 , Edited by admin on Tue Apr 01 19:25:37 GMT 2025

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PUBCHEM

6452165

Created by admin on Tue Apr 01 19:25:37 GMT 2025 , Edited by admin on Tue Apr 01 19:25:37 GMT 2025

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CAS

49742-68-9

Created by admin on Tue Apr 01 19:25:37 GMT 2025 , Edited by admin on Tue Apr 01 19:25:37 GMT 2025

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EPA CompTox

DTXSID50198007

Created by admin on Tue Apr 01 19:25:37 GMT 2025 , Edited by admin on Tue Apr 01 19:25:37 GMT 2025

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FDA UNII

CTB3T39JCJ

Created by admin on Tue Apr 01 19:25:37 GMT 2025 , Edited by admin on Tue Apr 01 19:25:37 GMT 2025

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