[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-propan-2-ylbenzoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-propan-2-ylbenzoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C20H19NO3 MolecularWeight: 321.36976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO3/c1-13(2)14-7-9-15(10-8-14)20(23)24-12-19(22)17-11-21-18-6-4-3-5-16(17)18/h3-11,13,21H,12H2,1-2H3