(phenylmethyl) 2-[2-(4-methylphenyl)ethyl]-5-[(1H-pyrazol-4-ylcarbonylamino)methyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[2-(4-methylphenyl)ethyl]-5-[(1H-pyrazol-4-ylcarbonylamino)methyl]piperidine-1-carboxylate Openeye Name: benzyl 2-[2-(p-tolyl)ethyl]-5-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate CAS Name: 2-[2-(4-methylphenyl)ethyl]-5-[[[oxo(1H-pyrazol-4-yl)methyl]amino]methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(4-methylphenyl)ethyl]-5-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate Traditional Name: 2-[2-(p-tolyl)ethyl]-5-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid benzyl ester Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC2CCC(CN2C(=O)OCC3=CC=CC=C3)CNC(=O)C4=CNN=C4

Isomeric SMILES

CC1=CC=C(C=C1)CCC2CCC(CN2C(=O)OCC3=CC=CC=C3)CNC(=O)C4=CNN=C4

InChI

InChI=1S/C27H32N4O3/c1-20-7-9-21(10-8-20)11-13-25-14-12-23(15-28-26(32)24-16-29-30-17-24)18-31(25)27(33)34-19-22-5-3-2-4-6-22/h2-10,16-17,23,25H,11-15,18-19H2,1H3,(H,28,32)(H,29,30)