[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] (E)-3-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-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-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]acrylic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C23H26N4O6 MolecularWeight: 454.47574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O6/c1-31-19-14-17(5-7-18(19)32-15-20(24)28)6-8-23(30)33-16-22(29)27-12-10-26(11-13-27)21-4-2-3-9-25-21/h2-9,14H,10-13,15-16H2,1H3,(H2,24,28)/b8-6+