methyl (2S)-1-[7-acetamido-1-(2-pyridin-2-ylethyl)benzimidazol-5-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[7-acetamido-1-(2-pyridin-2-ylethyl)benzimidazol-5-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[7-acetamido-1-[2-(2-pyridyl)ethyl]benzimidazole-5-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[7-acetamido-1-[2-(2-pyridinyl)ethyl]-5-benzimidazolyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[7-acetamido-1-(2-pyridin-2-ylethyl)benzimidazole-5-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[7-acetamido-1-[2-(2-pyridyl)ethyl]benzimidazole-5-carbonyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC2=C1N(C=N2)CCC3=CC=CC=N3)C(=O)N4CCCC4C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC(=CC2=C1N(C=N2)CCC3=CC=CC=N3)C(=O)N4CCC[C@H]4C(=O)OC

InChI

InChI=1S/C23H25N5O4/c1-15(29)26-19-13-16(22(30)28-10-5-7-20(28)23(31)32-2)12-18-21(19)27(14-25-18)11-8-17-6-3-4-9-24-17/h3-4,6,9,12-14,20H,5,7-8,10-11H2,1-2H3,(H,26,29)/t20-/m0/s1