1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-oxidanylidene-3H-benzimidazole-5-carboxylate

Systemtic Name: 1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-oxidanylidene-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-oxo-3H-benzimidazole-5-carboxylate CAS Name: 1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-oxo-3H-benzimidazole-5-carboxylate IUPAC Name: 1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-oxo-3H-benzimidazole-5-carboxylate Traditional Name: 1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-keto-3H-benzimidazole-5-carboxylate Formula: C16H19N2O3- MolecularWeight: 287.33366

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C3=C(C=C(C=C3)C(=O)[O-])NC2=O

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)N2C3=C(C=C(C=C3)C(=O)[O-])NC2=O

InChI

InChI=1S/C16H20N2O3/c1-9-4-3-5-13(10(9)2)18-14-7-6-11(15(19)20)8-12(14)17-16(18)21/h6-10,13H,3-5H2,1-2H3,(H,17,21)(H,19,20)/p-1/t9-,10+,13-/m0/s1