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

Systemtic Name: 3-(4-azanylbutyl)-2-dibenzothiophen-2-yl-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-dibenzothiophen-2-yl-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(2-dibenzothiophenyl)-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-dibenzothiophen-2-yl-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-dibenzothiophen-2-yl-7-methyl-1H-indole-4-carboxylic acid Formula: C26H24N2O2S MolecularWeight: 428.54596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=CC4=C(C=C3)SC5=CC=CC=C54)CCCCN

Isomeric SMILES

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=CC4=C(C=C3)SC5=CC=CC=C54)CCCCN

InChI

InChI=1S/C26H24N2O2S/c1-15-9-11-19(26(29)30)23-18(7-4-5-13-27)25(28-24(15)23)16-10-12-22-20(14-16)17-6-2-3-8-21(17)31-22/h2-3,6,8-12,14,28H,4-5,7,13,27H2,1H3,(H,29,30)