Ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H42N2O6
Molecular Weight	538.675
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylate

Structure Search

SMILES

CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1C2=CC=C(OC)C=C2)C(=O)OCC)C3=CC4=C(OCO4)C=C3

InChI

InChIKey=PKYIJQNBCMJVHD-RKJPZGCHSA-N

InChI=1S/C31H42N2O6/c1-5-8-16-32(17-9-6-2)28(34)20-33-19-25(23-12-15-26-27(18-23)39-21-38-26)29(31(35)37-7-3)30(33)22-10-13-24(36-4)14-11-22/h10-15,18,25,29-30H,5-9,16-17,19-21H2,1-4H3/t25-,29-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H42N2O6
Molecular Weight	538.675
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:55:03 GMT 2025` Edited by `admin` on `Wed Apr 02 20:55:03 GMT 2025`
Record UNII	E2X42CXC6A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylate

Systematic Name

English

3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-, ethyl ester, (2R,3R,4S)-

Preferred Name

English

3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-, ethyl ester, [2R-(2?,3?,4?)]-

Systematic Name

English

Code System Code Type Description

PUBCHEM

10578321

Created by admin on Wed Apr 02 20:55:03 GMT 2025 , Edited by admin on Wed Apr 02 20:55:03 GMT 2025

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FDA UNII

E2X42CXC6A

Created by admin on Wed Apr 02 20:55:03 GMT 2025 , Edited by admin on Wed Apr 02 20:55:03 GMT 2025

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CAS

195708-08-8

Created by admin on Wed Apr 02 20:55:03 GMT 2025 , Edited by admin on Wed Apr 02 20:55:03 GMT 2025

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