[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3-methylbenzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3-methylbenzoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C20H22N2O3 MolecularWeight: 338.40028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3/c1-16-6-5-7-17(14-16)20(24)25-15-19(23)22-12-10-21(11-13-22)18-8-3-2-4-9-18/h2-9,14H,10-13,15H2,1H3