methyl 4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-4,4-dimethyl-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-4,4-dimethyl-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-4,4-dimethyl-6-oxo-cyclohexen-1-yl]-4-oxo-butanoate CAS Name: 4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-4,4-dimethyl-6-oxo-1-cyclohexenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-4,4-dimethyl-6-oxocyclohexen-1-yl]-4-oxobutanoate Traditional Name: 4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-6-keto-4,4-dimethyl-cyclohexen-1-yl]-4-keto-butyric acid methyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(=O)CCC(=O)OC)NCCC2=NC3=CC=CC=C3N2)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(=O)CCC(=O)OC)NCCC2=NC3=CC=CC=C3N2)C

InChI

InChI=1S/C22H27N3O4/c1-22(2)12-16(21(18(27)13-22)17(26)8-9-20(28)29-3)23-11-10-19-24-14-6-4-5-7-15(14)25-19/h4-7,23H,8-13H2,1-3H3,(H,24,25)