[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: [2-(2,6-diethylanilino)-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-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C27H32N2O4 MolecularWeight: 448.55398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C27H32N2O4/c1-3-21-11-8-12-22(4-2)26(21)28-24(30)19-33-27(32)23-15-17-29(18-16-23)25(31)14-13-20-9-6-5-7-10-20/h5-14,23H,3-4,15-19H2,1-2H3,(H,28,30)/b14-13+