3-[[3-(hydroxymethyl)-4-methoxy-phenyl]methyl]-1-(4-oxidanylcyclohexyl)-2-oxidanylidene-benzimidazole-5-carbonitrile

Systemtic Name: 3-[[3-(hydroxymethyl)-4-methoxy-phenyl]methyl]-1-(4-oxidanylcyclohexyl)-2-oxidanylidene-benzimidazole-5-carbonitrile Openeye Name: 1-(4-hydroxycyclohexyl)-3-[[3-(hydroxymethyl)-4-methoxy-phenyl]methyl]-2-oxo-benzimidazole-5-carbonitrile CAS Name: 1-(4-hydroxycyclohexyl)-3-[[3-(hydroxymethyl)-4-methoxyphenyl]methyl]-2-oxo-5-benzimidazolecarbonitrile IUPAC Name: 1-(4-hydroxycyclohexyl)-3-[[3-(hydroxymethyl)-4-methoxyphenyl]methyl]-2-oxobenzimidazole-5-carbonitrile Traditional Name: 1-(4-hydroxycyclohexyl)-2-keto-3-(4-methoxy-3-methylol-benzyl)benzimidazole-5-carbonitrile Formula: C23H25N3O4 MolecularWeight: 407.4623

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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)CO

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4/c1-30-22-9-3-16(10-17(22)14-27)13-25-21-11-15(12-24)2-8-20(21)26(23(25)29)18-4-6-19(28)7-5-18/h2-3,8-11,18-19,27-28H,4-7,13-14H2,1H3