[(1S)-2-oxidanylidenecyclohexyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate CAS Name: 2-methyl-1-phenyl-5-benzimidazolecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate Traditional Name: 2-methyl-1-phenyl-benzimidazole-5-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OC4CCCCC4=O

Isomeric SMILES

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)O[C@H]4CCCCC4=O

InChI

InChI=1S/C21H20N2O3/c1-14-22-17-13-15(21(25)26-20-10-6-5-9-19(20)24)11-12-18(17)23(14)16-7-3-2-4-8-16/h2-4,7-8,11-13,20H,5-6,9-10H2,1H3/t20-/m0/s1