[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4,5-trimethoxyphenyl)-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-(3,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4,5-trimethoxyphenyl)acrylic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C25H30N2O6 MolecularWeight: 454.5155

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)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O6/c1-18(25(29)27-14-12-26(13-15-27)20-8-6-5-7-9-20)33-23(28)11-10-19-16-21(30-2)24(32-4)22(17-19)31-3/h5-11,16-18H,12-15H2,1-4H3/b11-10+