(1R,3R)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H16N2O4
Molecular Weight	336.3413
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (1R,3R)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

Structure Search

SMILES

OC(=O)[C@H]1CC2=C(NC3=C2C=CC=C3)[C@H](N1)C4=CC5=C(OCO5)C=C4

InChI

InChIKey=MDXJJOKTGDJRNN-RHSMWYFYSA-N

InChI=1S/C19H16N2O4/c22-19(23)14-8-12-11-3-1-2-4-13(11)20-18(12)17(21-14)10-5-6-15-16(7-10)25-9-24-15/h1-7,14,17,20-21H,8-9H2,(H,22,23)/t14-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H16N2O4
Molecular Weight	336.3413
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:26:02 GMT 2025` Edited by `admin` on `Wed Apr 02 21:26:02 GMT 2025`
Record UNII	E77NG787BS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-, (1R,3R)-

Preferred Name

English

(1R,3R)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

Systematic Name

English

Code System Code Type Description

FDA UNII

E77NG787BS

Created by admin on Wed Apr 02 21:26:02 GMT 2025 , Edited by admin on Wed Apr 02 21:26:02 GMT 2025

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CAS

406938-39-4

Created by admin on Wed Apr 02 21:26:02 GMT 2025 , Edited by admin on Wed Apr 02 21:26:02 GMT 2025

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PUBCHEM

830159

Created by admin on Wed Apr 02 21:26:02 GMT 2025 , Edited by admin on Wed Apr 02 21:26:02 GMT 2025

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