(phenylmethyl) 3-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate Openeye Name: benzyl 3-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate CAS Name: 3-[[[4-(1-benzimidazolyl)-2-pyrimidinyl]amino]methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate Traditional Name: 3-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylic acid benzyl ester Formula: C25H26N6O2 MolecularWeight: 442.51294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)CNC3=NC=CC(=N3)N4C=NC5=CC=CC=C54

Isomeric SMILES

C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)CNC3=NC=CC(=N3)N4C=NC5=CC=CC=C54

InChI

InChI=1S/C25H26N6O2/c32-25(33-17-19-7-2-1-3-8-19)30-14-6-9-20(16-30)15-27-24-26-13-12-23(29-24)31-18-28-21-10-4-5-11-22(21)31/h1-5,7-8,10-13,18,20H,6,9,14-17H2,(H,26,27,29)