(4-tert-butyl-2,6-dimethyl-phenyl)methyl 1-ethanoyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 1-ethanoyl-4-phenyl-piperidine-4-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 1-acetyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-acetyl-4-phenyl-4-piperidinecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-acetyl-4-phenyl-isonipecotic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C27H35NO3 MolecularWeight: 421.5717

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2(CCN(CC2)C(=O)C)C3=CC=CC=C3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2(CCN(CC2)C(=O)C)C3=CC=CC=C3)C)C(C)(C)C

InChI

InChI=1S/C27H35NO3/c1-19-16-23(26(4,5)6)17-20(2)24(19)18-31-25(30)27(22-10-8-7-9-11-22)12-14-28(15-13-27)21(3)29/h7-11,16-17H,12-15,18H2,1-6H3