(4-tert-butyl-2,6-dimethyl-phenyl)methyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C26H32ClNO3 MolecularWeight: 441.99018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C)C(C)(C)C

InChI

InChI=1S/C26H32ClNO3/c1-17-14-21(26(3,4)5)15-18(2)23(17)16-31-25(30)20-10-12-28(13-11-20)24(29)19-6-8-22(27)9-7-19/h6-9,14-15,20H,10-13,16H2,1-5H3