(4-methylphenyl)methyl 4-[(1H-pyrrol-3-ylcarbonylamino)methyl]piperidine-1-carboxylate

Systemtic Name: (4-methylphenyl)methyl 4-[(1H-pyrrol-3-ylcarbonylamino)methyl]piperidine-1-carboxylate Openeye Name: p-tolylmethyl 4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate CAS Name: 4-[[[oxo(1H-pyrrol-3-yl)methyl]amino]methyl]-1-piperidinecarboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate Traditional Name: 4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylic acid (4-methylbenzyl) ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3/c1-15-2-4-17(5-3-15)14-26-20(25)23-10-7-16(8-11-23)12-22-19(24)18-6-9-21-13-18/h2-6,9,13,16,21H,7-8,10-12,14H2,1H3,(H,22,24)