[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate Openeye Name: [2-(2,4-dimethoxyanilino)-2-oxo-ethyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [2-(2,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [2-(2,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2=CNC3=CC=CC=C32)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2=CNC3=CC=CC=C32)OC

InChI

InChI=1S/C21H22N2O5/c1-26-15-8-9-18(19(11-15)27-2)23-20(24)13-28-21(25)10-7-14-12-22-17-6-4-3-5-16(14)17/h3-6,8-9,11-12,22H,7,10,13H2,1-2H3,(H,23,24)