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

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate CAS Name: 1-(2,2-dimethyl-1-oxopropyl)-4-piperidinecarboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate Traditional Name: 1-pivaloylisonipecotic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2CCN(CC2)C(=O)C(C)(C)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2CCN(CC2)C(=O)C(C)(C)C)C)C

InChI

InChI=1S/C22H31NO4/c1-14-11-16(3)18(12-15(14)2)19(24)13-27-20(25)17-7-9-23(10-8-17)21(26)22(4,5)6/h11-12,17H,7-10,13H2,1-6H3