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

Systemtic Name: [2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 1-ethanoyl-4-phenyl-piperidine-4-carboxylate Openeye Name: [2-(2,5-diethylphenyl)-2-oxo-ethyl] 1-acetyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-acetyl-4-phenyl-4-piperidinecarboxylic acid [2-(2,5-diethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethylphenyl)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-acetyl-4-phenyl-isonipecotic acid [2-(2,5-diethylphenyl)-2-keto-ethyl] ester Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C2(CCN(CC2)C(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C2(CCN(CC2)C(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C26H31NO4/c1-4-20-11-12-21(5-2)23(17-20)24(29)18-31-25(30)26(22-9-7-6-8-10-22)13-15-27(16-14-26)19(3)28/h6-12,17H,4-5,13-16,18H2,1-3H3