ethyl (2R)-1-[6-acetamido-2-ethyl-3-(pyridin-3-ylmethyl)benzimidazol-4-yl]carbonylpiperidine-2-carboxylate

Systemtic Name: ethyl (2R)-1-[6-acetamido-2-ethyl-3-(pyridin-3-ylmethyl)benzimidazol-4-yl]carbonylpiperidine-2-carboxylate Openeye Name: ethyl (2R)-1-[6-acetamido-2-ethyl-3-(3-pyridylmethyl)benzimidazole-4-carbonyl]piperidine-2-carboxylate CAS Name: (2R)-1-[[6-acetamido-2-ethyl-3-(3-pyridinylmethyl)-4-benzimidazolyl]-oxomethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[6-acetamido-2-ethyl-3-(pyridin-3-ylmethyl)benzimidazole-4-carbonyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[6-acetamido-2-ethyl-3-(3-pyridylmethyl)benzimidazole-4-carbonyl]pipecolinic acid ethyl ester Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CN=CC=C3)C(=CC(=C2)NC(=O)C)C(=O)N4CCCCC4C(=O)OCC

Isomeric SMILES

CCC1=NC2=C(N1CC3=CN=CC=C3)C(=CC(=C2)NC(=O)C)C(=O)N4CCCC[C@@H]4C(=O)OCC

InChI

InChI=1S/C26H31N5O4/c1-4-23-29-21-14-19(28-17(3)32)13-20(24(21)31(23)16-18-9-8-11-27-15-18)25(33)30-12-7-6-10-22(30)26(34)35-5-2/h8-9,11,13-15,22H,4-7,10,12,16H2,1-3H3,(H,28,32)/t22-/m1/s1