[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-propenoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)acrylic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C24H27ClN2O5 MolecularWeight: 458.93458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27ClN2O5/c1-3-31-21-16-18(15-20(25)24(21)30-2)9-10-23(29)32-17-22(28)27-13-11-26(12-14-27)19-7-5-4-6-8-19/h4-10,15-16H,3,11-14,17H2,1-2H3/b10-9+