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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5/c1-28-19-15-17(7-9-22(27)29-2)6-8-18(19)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/b9-7+