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

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

CC(C1CCCN(C1)C(=O)OCC2=CC=CC=C2)NC3=NC=CC(=N3)N4C=NC5=CC=CC=C54

Isomeric SMILES

CC(C1CCCN(C1)C(=O)OCC2=CC=CC=C2)NC3=NC=CC(=N3)N4C=NC5=CC=CC=C54

InChI

InChI=1S/C26H28N6O2/c1-19(21-10-7-15-31(16-21)26(33)34-17-20-8-3-2-4-9-20)29-25-27-14-13-24(30-25)32-18-28-22-11-5-6-12-23(22)32/h2-6,8-9,11-14,18-19,21H,7,10,15-17H2,1H3,(H,27,29,30)