3-[(3-chloranyl-4-methoxy-phenyl)methyl]-1-(4-oxidanylcyclohexyl)-2-oxidanylidene-benzimidazole-5-carboxylic acid

Systemtic Name: 3-[(3-chloranyl-4-methoxy-phenyl)methyl]-1-(4-oxidanylcyclohexyl)-2-oxidanylidene-benzimidazole-5-carboxylic acid Openeye Name: 3-[(3-chloro-4-methoxy-phenyl)methyl]-1-(4-hydroxycyclohexyl)-2-oxo-benzimidazole-5-carboxylic acid CAS Name: 3-[(3-chloro-4-methoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)-2-oxo-5-benzimidazolecarboxylic acid IUPAC Name: 3-[(3-chloro-4-methoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)-2-oxobenzimidazole-5-carboxylic acid Traditional Name: 3-(3-chloro-4-methoxy-benzyl)-1-(4-hydroxycyclohexyl)-2-keto-benzimidazole-5-carboxylic acid Formula: C22H23ClN2O5 MolecularWeight: 430.88142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O5/c1-30-20-9-2-13(10-17(20)23)12-24-19-11-14(21(27)28)3-8-18(19)25(22(24)29)15-4-6-16(26)7-5-15/h2-3,8-11,15-16,26H,4-7,12H2,1H3,(H,27,28)