(2,3,6-trimethylphenyl) 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (2,3,6-trimethylphenyl) 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (2,3,6-trimethylphenyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid (2,3,6-trimethylphenyl) ester Formula: C22H24ClNO3 MolecularWeight: 385.88386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H24ClNO3/c1-14-4-5-15(2)20(16(14)3)27-22(26)18-10-12-24(13-11-18)21(25)17-6-8-19(23)9-7-17/h4-9,18H,10-13H2,1-3H3