methyl 4-[(E)-3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[4-(2-chlorophenyl)-1-piperazinyl]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[4-(2-chlorophenyl)piperazino]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)C3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H21ClN2O3/c1-27-21(26)17-9-6-16(7-10-17)8-11-20(25)24-14-12-23(13-15-24)19-5-3-2-4-18(19)22/h2-11H,12-15H2,1H3/b11-8+