(4-methylphenyl)methyl 4-[[(2-methyl-1H-pyrrol-3-yl)carbonylamino]methyl]piperidine-1-carboxylate

Systemtic Name: (4-methylphenyl)methyl 4-[[(2-methyl-1H-pyrrol-3-yl)carbonylamino]methyl]piperidine-1-carboxylate Openeye Name: p-tolylmethyl 4-[[(2-methyl-1H-pyrrole-3-carbonyl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[(2-methyl-1H-pyrrol-3-yl)-oxomethyl]amino]methyl]-1-piperidinecarboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 4-[[(2-methyl-1H-pyrrole-3-carbonyl)amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[(2-methyl-1H-pyrrole-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid (4-methylbenzyl) ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c1-15-3-5-18(6-4-15)14-27-21(26)24-11-8-17(9-12-24)13-23-20(25)19-7-10-22-16(19)2/h3-7,10,17,22H,8-9,11-14H2,1-2H3,(H,23,25)