[4-[5-cyano-3-[(3,4-dimethoxyphenyl)methyl]-2-oxidanylidene-benzimidazol-1-yl]cyclohexyl] ethanoate

Systemtic Name: [4-[5-cyano-3-[(3,4-dimethoxyphenyl)methyl]-2-oxidanylidene-benzimidazol-1-yl]cyclohexyl] ethanoate Openeye Name: [4-[5-cyano-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-benzimidazol-1-yl]cyclohexyl] acetate CAS Name: acetic acid [4-[5-cyano-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-1-benzimidazolyl]cyclohexyl] ester IUPAC Name: [4-[5-cyano-3-[(3,4-dimethoxyphenyl)methyl]-2-oxobenzimidazol-1-yl]cyclohexyl] acetate Traditional Name: acetic acid [4-(5-cyano-2-keto-3-veratryl-benzimidazol-1-yl)cyclohexyl] ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(CC1)N2C3=C(C=C(C=C3)C#N)N(C2=O)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(=O)OC1CCC(CC1)N2C3=C(C=C(C=C3)C#N)N(C2=O)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H27N3O5/c1-16(29)33-20-8-6-19(7-9-20)28-21-10-4-17(14-26)12-22(21)27(25(28)30)15-18-5-11-23(31-2)24(13-18)32-3/h4-5,10-13,19-20H,6-9,15H2,1-3H3