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

Systemtic Name: 3-(4-azanylbutyl)-2-(3,4-diethoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(3,4-diethoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(3,4-diethoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(3,4-diethoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(3,4-diethoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid Formula: C24H30N2O4 MolecularWeight: 410.506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C(C3=C(C=CC(=C3N2)C)C(=O)O)CCCCN)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C(C3=C(C=CC(=C3N2)C)C(=O)O)CCCCN)OCC

InChI

InChI=1S/C24H30N2O4/c1-4-29-19-12-10-16(14-20(19)30-5-2)23-17(8-6-7-13-25)21-18(24(27)28)11-9-15(3)22(21)26-23/h9-12,14,26H,4-8,13,25H2,1-3H3,(H,27,28)