ethyl (3S)-1-[7-acetamido-1-(2-pyridin-2-ylethyl)benzimidazol-5-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[7-acetamido-1-(2-pyridin-2-ylethyl)benzimidazol-5-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[7-acetamido-1-[2-(2-pyridyl)ethyl]benzimidazole-5-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[7-acetamido-1-[2-(2-pyridinyl)ethyl]-5-benzimidazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[7-acetamido-1-(2-pyridin-2-ylethyl)benzimidazole-5-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[7-acetamido-1-[2-(2-pyridyl)ethyl]benzimidazole-5-carbonyl]nipecotic acid ethyl ester Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C(=C2)NC(=O)C)N(C=N3)CCC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CC3=C(C(=C2)NC(=O)C)N(C=N3)CCC4=CC=CC=N4

InChI

InChI=1S/C25H29N5O4/c1-3-34-25(33)18-7-6-11-29(15-18)24(32)19-13-21-23(22(14-19)28-17(2)31)30(16-27-21)12-9-20-8-4-5-10-26-20/h4-5,8,10,13-14,16,18H,3,6-7,9,11-12,15H2,1-2H3,(H,28,31)/t18-/m0/s1