(4-propan-2-ylphenyl)methyl 4-[(1H-pyrrol-3-ylcarbonylamino)methyl]piperidine-1-carboxylate

Systemtic Name: (4-propan-2-ylphenyl)methyl 4-[(1H-pyrrol-3-ylcarbonylamino)methyl]piperidine-1-carboxylate Openeye Name: (4-isopropylphenyl)methyl 4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate CAS Name: 4-[[[oxo(1H-pyrrol-3-yl)methyl]amino]methyl]-1-piperidinecarboxylic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate Traditional Name: 4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylic acid (4-isopropylbenzyl) ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3/c1-16(2)19-5-3-18(4-6-19)15-28-22(27)25-11-8-17(9-12-25)13-24-21(26)20-7-10-23-14-20/h3-7,10,14,16-17,23H,8-9,11-13,15H2,1-2H3,(H,24,26)