3-(4-azanylbutyl)-2-(1-benzothiophen-2-yl)-7-methyl-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(1-benzothiophen-2-yl)-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(benzothiophen-2-yl)-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(1-benzothiophen-2-yl)-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(1-benzothiophen-2-yl)-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(benzothiophen-2-yl)-7-methyl-1H-indole-4-carboxylic acid Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=CC4=CC=CC=C4S3)CCCCN

Isomeric SMILES

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=CC4=CC=CC=C4S3)CCCCN

InChI

InChI=1S/C22H22N2O2S/c1-13-9-10-16(22(25)26)19-15(7-4-5-11-23)21(24-20(13)19)18-12-14-6-2-3-8-17(14)27-18/h2-3,6,8-10,12,24H,4-5,7,11,23H2,1H3,(H,25,26)