2-[1-[1-(2-Chlorophenyl)-2-methoxy-2-oxoethyl]-4-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylpiperidin-3-ylidene]acetic acid

Details

Stereochemistry	MIXED
Molecular Formula	C25H26ClNO6S
Molecular Weight	503.995
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-[1-[1-(2-Chlorophenyl)-2-methoxy-2-oxoethyl]-4-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylpiperidin-3-ylidene]acetic acid

Structure Search

SMILES

COC(=O)C(N1CCC(SCC(=O)C2=CC=CC(OC)=C2)C(C1)=CC(O)=O)C3=CC=CC=C3Cl

InChI

InChIKey=FNCOEMFSIDGTAR-GHRIWEEISA-N

InChI=1S/C25H26ClNO6S/c1-32-18-7-5-6-16(12-18)21(28)15-34-22-10-11-27(14-17(22)13-23(29)30)24(25(31)33-2)19-8-3-4-9-20(19)26/h3-9,12-13,22,24H,10-11,14-15H2,1-2H3,(H,29,30)/b17-13+

HIDE SMILES / InChI

Molecular Formula	C25H26ClNO6S
Molecular Weight	503.995
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:30:39 GMT 2025` Edited by `admin` on `Wed Apr 02 20:30:39 GMT 2025`
Record UNII	X2ABR87W5R
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1-Piperidineacetic acid, 3-(carboxymethylene)-?-(2-chlorophenyl)-4-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-, 1-methyl ester

Preferred Name

English

2-[1-[1-(2-Chlorophenyl)-2-methoxy-2-oxoethyl]-4-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylpiperidin-3-ylidene]acetic acid

Systematic Name

English

Code System Code Type Description

FDA UNII

X2ABR87W5R

Created by admin on Wed Apr 02 20:30:39 GMT 2025 , Edited by admin on Wed Apr 02 20:30:39 GMT 2025

PRIMARY

CAS

1287430-40-3

Created by admin on Wed Apr 02 20:30:39 GMT 2025 , Edited by admin on Wed Apr 02 20:30:39 GMT 2025

PRIMARY

PUBCHEM

75304408

Created by admin on Wed Apr 02 20:30:39 GMT 2025 , Edited by admin on Wed Apr 02 20:30:39 GMT 2025

PRIMARY