[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] 1-ethanoyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] 1-ethanoyl-4-phenyl-piperidine-4-carboxylate Openeye Name: [2-[4-[(1S)-1-methylpropyl]phenyl]-2-oxo-ethyl] 1-acetyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-acetyl-4-phenyl-4-piperidinecarboxylic acid [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-acetyl-4-phenyl-isonipecotic acid [2-keto-2-[4-[(1S)-1-methylpropyl]phenyl]ethyl] ester Formula: C26H31NO4 MolecularWeight: 421.52864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2(CCN(CC2)C(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C(=O)COC(=O)C2(CCN(CC2)C(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C26H31NO4/c1-4-19(2)21-10-12-22(13-11-21)24(29)18-31-25(30)26(23-8-6-5-7-9-23)14-16-27(17-15-26)20(3)28/h5-13,19H,4,14-18H2,1-3H3/t19-/m0/s1