3-(4-azanylbutyl)-2-(4-ethylphenyl)-1H-indole-5-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(4-ethylphenyl)-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(4-ethylphenyl)-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(4-ethylphenyl)-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(4-ethylphenyl)-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(4-ethylphenyl)-1H-indole-5-carboxylic acid Formula: C21H24N2O2 MolecularWeight: 336.42746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN

InChI

InChI=1S/C21H24N2O2/c1-2-14-6-8-15(9-7-14)20-17(5-3-4-12-22)18-13-16(21(24)25)10-11-19(18)23-20/h6-11,13,23H,2-5,12,22H2,1H3,(H,24,25)