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

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: [(1R)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid [(1R)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid [(1R)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)O[C@H](C2=CC=CC=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C25H27N3O3/c1-27(2)22-13-11-19(12-14-22)17-21(18-26)25(30)31-23(20-9-5-3-6-10-20)24(29)28-15-7-4-8-16-28/h3,5-6,9-14,17,23H,4,7-8,15-16H2,1-2H3/b21-17+/t23-/m1/s1