[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate CAS Name: 2-methyl-1-phenyl-5-benzimidazolecarboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate Traditional Name: 2-methyl-1-phenyl-benzimidazole-5-carboxylic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C21H18N4O3/c1-13(23)17(11-22)20(26)12-28-21(27)15-8-9-19-18(10-15)24-14(2)25(19)16-6-4-3-5-7-16/h3-10,17,23H,12H2,1-2H3/t17-/m0/s1