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

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C19H17NO3 MolecularWeight: 307.34318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)C2=CNC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)C2=CNC3=CC=CC=C32)C

InChI

InChI=1S/C19H17NO3/c1-12-7-13(2)9-14(8-12)19(22)23-11-18(21)16-10-20-17-6-4-3-5-15(16)17/h3-10,20H,11H2,1-2H3