[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C21H21NO5 MolecularWeight: 367.39514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CNC3=CC=CC=C32)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CNC3=CC=CC=C32)OCC

InChI

InChI=1S/C21H21NO5/c1-3-25-19-10-9-14(11-20(19)26-4-2)21(24)27-13-18(23)16-12-22-17-8-6-5-7-15(16)17/h5-12,22H,3-4,13H2,1-2H3