[(2S)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [(2S)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [(1S)-2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [(1S)-2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C26H32N2O4/c1-18(23(29)19-10-12-21(13-11-19)26(2,3)4)32-24(30)20-14-16-28(17-15-20)25(31)27-22-8-6-5-7-9-22/h5-13,18,20H,14-17H2,1-4H3,(H,27,31)/t18-/m0/s1