3-(2-((3AR,4S,7AR)-4-HYDROXY-1-METHOXYCARBONYL-3,3A,5,6,7,7A-HEXAHYDRO-2H-INDOL-4-YL)ETHYNYL)BENZOIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H21NO5
Molecular Weight	343.3737
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(2-((3AR,4S,7AR)-4-HYDROXY-1-METHOXYCARBONYL-3,3A,5,6,7,7A-HEXAHYDRO-2H-INDOL-4-YL)ETHYNYL)BENZOIC ACID

Structure Search

SMILES

[H][C@@]12CCC[C@@](O)(C#CC3=CC(=CC=C3)C(O)=O)[C@]1([H])CCN2C(=O)OC

InChI

InChIKey=VIPDTPVVNKFRDW-GPMSIDNRSA-N

InChI=1S/C19H21NO5/c1-25-18(23)20-11-8-15-16(20)6-3-9-19(15,24)10-7-13-4-2-5-14(12-13)17(21)22/h2,4-5,12,15-16,24H,3,6,8-9,11H2,1H3,(H,21,22)/t15-,16-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H21NO5
Molecular Weight	343.3737
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 `Sat Dec 16 16:09:50 GMT 2023` Edited by `admin` on `Sat Dec 16 16:09:50 GMT 2023`
Record UNII	3LH77AR3YL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(2-((3AR,4S,7AR)-4-HYDROXY-1-METHOXYCARBONYL-3,3A,5,6,7,7A-HEXAHYDRO-2H-INDOL-4-YL)ETHYNYL)BENZOIC ACID

Systematic Name

English

MAVOGLURANT METABOLITE M6

Common Name

English

Code System Code Type Description

FDA UNII

3LH77AR3YL

Created by admin on Sat Dec 16 16:09:51 GMT 2023 , Edited by admin on Sat Dec 16 16:09:51 GMT 2023

PRIMARY

PUBCHEM

155491181

Created by admin on Sat Dec 16 16:09:51 GMT 2023 , Edited by admin on Sat Dec 16 16:09:51 GMT 2023

PRIMARY

PUBCHEM

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