5-[[6-cyano-3-(4-oxidanylcyclohexyl)-2-oxidanylidene-benzimidazol-1-yl]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[6-cyano-3-(4-oxidanylcyclohexyl)-2-oxidanylidene-benzimidazol-1-yl]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[6-cyano-3-(4-hydroxycyclohexyl)-2-oxo-benzimidazol-1-yl]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[6-cyano-3-(4-hydroxycyclohexyl)-2-oxo-1-benzimidazolyl]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[6-cyano-3-(4-hydroxycyclohexyl)-2-oxobenzimidazol-1-yl]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[6-cyano-3-(4-hydroxycyclohexyl)-2-keto-benzimidazol-1-yl]methyl]-2-methoxy-benzoic acid Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)C#N)N(C2=O)C4CCC(CC4)O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)C#N)N(C2=O)C4CCC(CC4)O)C(=O)O

InChI

InChI=1S/C23H23N3O5/c1-31-21-9-3-15(10-18(21)22(28)29)13-25-20-11-14(12-24)2-8-19(20)26(23(25)30)16-4-6-17(27)7-5-16/h2-3,8-11,16-17,27H,4-7,13H2,1H3,(H,28,29)