[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate CAS Name: 2-methyl-1-phenyl-5-benzimidazolecarboxylic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate Traditional Name: 2-methyl-1-phenyl-benzimidazole-5-carboxylic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C25H20N4O3 MolecularWeight: 424.4513

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OC(C)C(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)O[C@H](C)C(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H20N4O3/c1-16(24(30)28-20-11-8-18(15-26)9-12-20)32-25(31)19-10-13-23-22(14-19)27-17(2)29(23)21-6-4-3-5-7-21/h3-14,16H,1-2H3,(H,28,30)/t16-/m1/s1