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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H18N2O4
Molecular Weight 350.3679
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl (1R,3S)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

SMILES

COC(=O)[C@@H]1CC2=C(NC3=C2C=CC=C3)[C@H](N1)C4=CC=C5OCOC5=C4

InChI

InChIKey=LIPVUDSNGRJSQE-MAUKXSAKSA-N
InChI=1S/C20H18N2O4/c1-24-20(23)15-9-13-12-4-2-3-5-14(12)21-19(13)18(22-15)11-6-7-16-17(8-11)26-10-25-16/h2-8,15,18,21-22H,9-10H2,1H3/t15-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H18N2O4
Molecular Weight 350.3679
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 Sat Dec 16 20:08:25 GMT 2023
Edited
by admin
on Sat Dec 16 20:08:25 GMT 2023
Record UNII
UE3B5MEV9V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl (1R,3S)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Systematic Name English
1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-, methyl ester, (1R,3S)-
Systematic Name English
Code System Code Type Description
CAS
171596-44-4
Created by admin on Sat Dec 16 20:08:25 GMT 2023 , Edited by admin on Sat Dec 16 20:08:25 GMT 2023
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FDA UNII
UE3B5MEV9V
Created by admin on Sat Dec 16 20:08:25 GMT 2023 , Edited by admin on Sat Dec 16 20:08:25 GMT 2023
PRIMARY
PUBCHEM
9902999
Created by admin on Sat Dec 16 20:08:25 GMT 2023 , Edited by admin on Sat Dec 16 20:08:25 GMT 2023
PRIMARY