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

Systemtic Name: (phenylmethyl) 3-[2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate Openeye Name: benzyl 3-[2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate CAS Name: 3-[2-[[4-(1-benzimidazolyl)-2-pyrimidinyl]amino]ethyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate Traditional Name: 3-[2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylic acid benzyl ester Formula: C26H28N6O2 MolecularWeight: 456.53952

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)CCNC3=NC=CC(=N3)N4C=NC5=CC=CC=C54

Isomeric SMILES

C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)CCNC3=NC=CC(=N3)N4C=NC5=CC=CC=C54

InChI

InChI=1S/C26H28N6O2/c33-26(34-18-21-7-2-1-3-8-21)31-16-6-9-20(17-31)12-14-27-25-28-15-13-24(30-25)32-19-29-22-10-4-5-11-23(22)32/h1-5,7-8,10-11,13,15,19-20H,6,9,12,14,16-18H2,(H,27,28,30)