(4-methylphenyl)methyl 4-[(pyridin-4-ylcarbonylamino)methyl]piperidine-1-carboxylate

Systemtic Name: (4-methylphenyl)methyl 4-[(pyridin-4-ylcarbonylamino)methyl]piperidine-1-carboxylate Openeye Name: p-tolylmethyl 4-[(pyridine-4-carbonylamino)methyl]piperidine-1-carboxylate CAS Name: 4-[[[oxo(pyridin-4-yl)methyl]amino]methyl]-1-piperidinecarboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 4-[(pyridine-4-carbonylamino)methyl]piperidine-1-carboxylate Traditional Name: 4-(isonicotinamidomethyl)piperidine-1-carboxylic acid (4-methylbenzyl) ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)N2CCC(CC2)CNC(=O)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)N2CCC(CC2)CNC(=O)C3=CC=NC=C3

InChI

InChI=1S/C21H25N3O3/c1-16-2-4-18(5-3-16)15-27-21(26)24-12-8-17(9-13-24)14-23-20(25)19-6-10-22-11-7-19/h2-7,10-11,17H,8-9,12-15H2,1H3,(H,23,25)