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

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3,4-diethoxybenzoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C23H28N2O5 MolecularWeight: 412.47882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)OCC

InChI

InChI=1S/C23H28N2O5/c1-3-28-20-11-10-18(16-21(20)29-4-2)23(27)30-17-22(26)25-14-12-24(13-15-25)19-8-6-5-7-9-19/h5-11,16H,3-4,12-15,17H2,1-2H3