(3,5-dimethylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: (3,5-dimethylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: (3,5-dimethylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid (3,5-dimethylbenzyl) ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C22H26N2O3/c1-16-12-17(2)14-18(13-16)15-27-21(25)19-8-10-24(11-9-19)22(26)23-20-6-4-3-5-7-20/h3-7,12-14,19H,8-11,15H2,1-2H3,(H,23,26)