ethyl 4-[[3-methyl-2-(phenylmethyl)-6-(propanoylamino)benzimidazol-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[3-methyl-2-(phenylmethyl)-6-(propanoylamino)benzimidazol-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-benzyl-3-methyl-6-(propanoylamino)benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[3-methyl-6-(1-oxopropylamino)-2-(phenylmethyl)-4-benzimidazolyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-benzyl-3-methyl-6-(propanoylamino)benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[(2-benzyl-3-methyl-6-propionamido-benzimidazole-4-carbonyl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C27H33N5O4 MolecularWeight: 491.58202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C(=C1)C(=O)NC3CCN(CC3)C(=O)OCC)N(C(=N2)CC4=CC=CC=C4)C

Isomeric SMILES

CCC(=O)NC1=CC2=C(C(=C1)C(=O)NC3CCN(CC3)C(=O)OCC)N(C(=N2)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H33N5O4/c1-4-24(33)28-20-16-21(26(34)29-19-11-13-32(14-12-19)27(35)36-5-2)25-22(17-20)30-23(31(25)3)15-18-9-7-6-8-10-18/h6-10,16-17,19H,4-5,11-15H2,1-3H3,(H,28,33)(H,29,34)