[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: [2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: [2-[(1-cyanocycloheptyl)amino]-2-oxo-ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxylic acid [2-[(1-cyanocycloheptyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocycloheptyl)amino]-2-oxoethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid [2-[(1-cyanocycloheptyl)amino]-2-keto-ethyl] ester Formula: C25H31N3O4 MolecularWeight: 437.53134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)COC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)COC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O4/c26-19-25(14-6-1-2-7-15-25)27-22(29)18-32-24(31)21-12-16-28(17-13-21)23(30)11-10-20-8-4-3-5-9-20/h3-5,8-11,21H,1-2,6-7,12-18H2,(H,27,29)/b11-10+