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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCN(C1)C(=O)OCC2=CC=CC=C2)C3=NC=CC(=N3)N4C=NC5=CC=CC=C54

Isomeric SMILES

CCN(C1CCCN(C1)C(=O)OCC2=CC=CC=C2)C3=NC=CC(=N3)N4C=NC5=CC=CC=C54

InChI

InChI=1S/C26H28N6O2/c1-2-31(21-11-8-16-30(17-21)26(33)34-18-20-9-4-3-5-10-20)25-27-15-14-24(29-25)32-19-28-22-12-6-7-13-23(22)32/h3-7,9-10,12-15,19,21H,2,8,11,16-18H2,1H3