[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H21NO3 MolecularWeight: 335.39634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)CCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H21NO3/c1-14-7-8-15(2)18(11-14)20(23)13-25-21(24)10-9-16-12-22-19-6-4-3-5-17(16)19/h3-8,11-12,22H,9-10,13H2,1-2H3