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

Systemtic Name: 3-(4-azanylbutyl)-2-(4-ethylphenyl)-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(4-ethylphenyl)-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(4-ethylphenyl)-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(4-ethylphenyl)-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(4-ethylphenyl)-7-methyl-1H-indole-4-carboxylic acid Formula: C22H26N2O2 MolecularWeight: 350.45404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C3=C(C=CC(=C3N2)C)C(=O)O)CCCCN

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C3=C(C=CC(=C3N2)C)C(=O)O)CCCCN

InChI

InChI=1S/C22H26N2O2/c1-3-15-8-10-16(11-9-15)21-17(6-4-5-13-23)19-18(22(25)26)12-7-14(2)20(19)24-21/h7-12,24H,3-6,13,23H2,1-2H3,(H,25,26)