methyl 4-[2-(1H-benzimidazol-2-ylmethylimino)-4,4-dimethyl-6-oxidanylidene-cyclohexyl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[2-(1H-benzimidazol-2-ylmethylimino)-4,4-dimethyl-6-oxidanylidene-cyclohexyl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[2-(1H-benzimidazol-2-ylmethylimino)-4,4-dimethyl-6-oxo-cyclohexyl]-4-oxo-butanoate CAS Name: 4-[2-(1H-benzimidazol-2-ylmethylimino)-4,4-dimethyl-6-oxocyclohexyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[2-(1H-benzimidazol-2-ylmethylimino)-4,4-dimethyl-6-oxocyclohexyl]-4-oxobutanoate Traditional Name: 4-[2-(1H-benzimidazol-2-ylmethylimino)-6-keto-4,4-dimethyl-cyclohexyl]-4-keto-butyric acid methyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NCC2=NC3=CC=CC=C3N2)C(C(=O)C1)C(=O)CCC(=O)OC)C

Isomeric SMILES

CC1(CC(=NCC2=NC3=CC=CC=C3N2)C(C(=O)C1)C(=O)CCC(=O)OC)C

InChI

InChI=1S/C21H25N3O4/c1-21(2)10-15(20(17(26)11-21)16(25)8-9-19(27)28-3)22-12-18-23-13-6-4-5-7-14(13)24-18/h4-7,20H,8-12H2,1-3H3,(H,23,24)