[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 1-ethanoyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 1-ethanoyl-4-phenyl-piperidine-4-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-acetyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-acetyl-4-phenyl-4-piperidinecarboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-acetyl-4-phenyl-isonipecotic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2(CCN(CC2)C(=O)C)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2(CCN(CC2)C(=O)C)C3=CC=CC=C3)C)C

InChI

InChI=1S/C25H29NO4/c1-17-14-19(3)22(15-18(17)2)23(28)16-30-24(29)25(21-8-6-5-7-9-21)10-12-26(13-11-25)20(4)27/h5-9,14-15H,10-13,16H2,1-4H3