2-[3-(4-azanylbutyl)-2-(2-methoxy-3-methyl-phenyl)-1H-indol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(2-methoxy-3-methyl-phenyl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(2-methoxy-3-methyl-phenyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(2-methoxy-3-methylphenyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(2-methoxy-3-methylphenyl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(2-methoxy-3-methyl-phenyl)-1H-indol-5-yl]acetic acid Formula: C22H26N2O3 MolecularWeight: 366.45344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C2=C(C3=C(N2)C=CC(=C3)CC(=O)O)CCCCN

Isomeric SMILES

CC1=CC=CC(=C1OC)C2=C(C3=C(N2)C=CC(=C3)CC(=O)O)CCCCN

InChI

InChI=1S/C22H26N2O3/c1-14-6-5-8-17(22(14)27-2)21-16(7-3-4-11-23)18-12-15(13-20(25)26)9-10-19(18)24-21/h5-6,8-10,12,24H,3-4,7,11,13,23H2,1-2H3,(H,25,26)