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

Systemtic Name: methyl 4-[2-(1H-benzimidazol-2-ylmethylamino)-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[2-(1H-benzimidazol-2-ylmethylamino)-6-oxo-cyclohexen-1-yl]-4-oxo-butanoate CAS Name: 4-[2-(1H-benzimidazol-2-ylmethylamino)-6-oxo-1-cyclohexenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[2-(1H-benzimidazol-2-ylmethylamino)-6-oxocyclohexen-1-yl]-4-oxobutanoate Traditional Name: 4-[2-(1H-benzimidazol-2-ylmethylamino)-6-keto-cyclohexen-1-yl]-4-keto-butyric acid methyl ester Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C1=C(CCCC1=O)NCC2=NC3=CC=CC=C3N2

Isomeric SMILES

COC(=O)CCC(=O)C1=C(CCCC1=O)NCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C19H21N3O4/c1-26-18(25)10-9-16(24)19-14(7-4-8-15(19)23)20-11-17-21-12-5-2-3-6-13(12)22-17/h2-3,5-6,20H,4,7-11H2,1H3,(H,21,22)