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

Systemtic Name: 3-(4-azanylbutyl)-7-methyl-2-(2-methylsulfanylphenyl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-methyl-2-(2-methylsulfanylphenyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-methyl-2-[2-(methylthio)phenyl]-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-methyl-2-(2-methylsulfanylphenyl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-methyl-2-[2-(methylthio)phenyl]-1H-indole-4-carboxylic acid Formula: C21H24N2O2S MolecularWeight: 368.49246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=CC=CC=C3SC)CCCCN

Isomeric SMILES

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=CC=CC=C3SC)CCCCN

InChI

InChI=1S/C21H24N2O2S/c1-13-10-11-16(21(24)25)18-15(8-5-6-12-22)20(23-19(13)18)14-7-3-4-9-17(14)26-2/h3-4,7,9-11,23H,5-6,8,12,22H2,1-2H3,(H,24,25)