[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxy-benzoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxy-benzoate CAS Name: 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate Traditional Name: 4-(2-chlorobenzyl)oxy-3-methoxy-benzoic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C27H27ClN2O5 MolecularWeight: 494.96668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)OCC4=CC=CC=C4Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)OCC4=CC=CC=C4Cl

InChI

InChI=1S/C27H27ClN2O5/c1-33-25-17-20(11-12-24(25)34-18-21-7-5-6-10-23(21)28)27(32)35-19-26(31)30-15-13-29(14-16-30)22-8-3-2-4-9-22/h2-12,17H,13-16,18-19H2,1H3