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

Systemtic Name: 3-(4-azanylbutyl)-2-(2-methoxy-3-methyl-phenyl)-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(2-methoxy-3-methyl-phenyl)-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(2-methoxy-3-methylphenyl)-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(2-methoxy-3-methylphenyl)-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(2-methoxy-3-methyl-phenyl)-7-methyl-1H-indole-4-carboxylic acid Formula: C22H26N2O3 MolecularWeight: 366.45344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3/c1-13-10-11-16(22(25)26)18-15(8-4-5-12-23)20(24-19(13)18)17-9-6-7-14(2)21(17)27-3/h6-7,9-11,24H,4-5,8,12,23H2,1-3H3,(H,25,26)