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

Systemtic Name: [2-[5-cyano-3-[(3,4-dimethoxyphenyl)methyl]-2-oxidanylidene-benzimidazol-1-yl]-2-methyl-propyl] ethanoate Openeye Name: [2-[5-cyano-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-benzimidazol-1-yl]-2-methyl-propyl] acetate CAS Name: acetic acid [2-[5-cyano-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-1-benzimidazolyl]-2-methylpropyl] ester IUPAC Name: [2-[5-cyano-3-[(3,4-dimethoxyphenyl)methyl]-2-oxobenzimidazol-1-yl]-2-methylpropyl] acetate Traditional Name: acetic acid [2-(5-cyano-2-keto-3-veratryl-benzimidazol-1-yl)-2-methyl-propyl] ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C)(C)N1C2=C(C=C(C=C2)C#N)N(C1=O)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(=O)OCC(C)(C)N1C2=C(C=C(C=C2)C#N)N(C1=O)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H25N3O5/c1-15(27)31-14-23(2,3)26-18-8-6-16(12-24)10-19(18)25(22(26)28)13-17-7-9-20(29-4)21(11-17)30-5/h6-11H,13-14H2,1-5H3