[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid [1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C25H27N3O5 MolecularWeight: 449.49898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C=CC3=CC(=C(C=C3)OCC#N)OC

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)/C=C/C3=CC(=C(C=C3)OCC#N)OC

InChI

InChI=1S/C25H27N3O5/c1-19(25(30)28-15-13-27(14-16-28)21-6-4-3-5-7-21)33-24(29)11-9-20-8-10-22(32-17-12-26)23(18-20)31-2/h3-11,18-19H,13-17H2,1-2H3/b11-9+