[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,5-dimethoxyphenyl)-2-propenoic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2,5-dimethoxyphenyl)acrylic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=CC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)/C=C/C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C22H25N3O5/c1-28-18-7-8-19(29-2)17(15-18)6-9-22(27)30-16-21(26)25-13-11-24(12-14-25)20-5-3-4-10-23-20/h3-10,15H,11-14,16H2,1-2H3/b9-6+