[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C26H29N3O3 MolecularWeight: 431.52676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C26H29N3O3/c1-28(2)24-10-8-21(9-11-24)17-23(18-27)26(31)32-19-25(30)29-14-12-22(13-15-29)16-20-6-4-3-5-7-20/h3-11,17,22H,12-16,19H2,1-2H3/b23-17+