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

Systemtic Name: methyl 4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-6-oxo-cyclohexen-1-yl]-4-oxo-butanoate CAS Name: 4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-6-oxo-1-cyclohexenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-6-oxocyclohexen-1-yl]-4-oxobutanoate Traditional Name: 4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-6-keto-cyclohexen-1-yl]-4-keto-butyric acid methyl ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C1=C(CCCC1=O)NCCC2=NC3=CC=CC=C3N2

Isomeric SMILES

COC(=O)CCC(=O)C1=C(CCCC1=O)NCCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H23N3O4/c1-27-19(26)10-9-17(25)20-15(7-4-8-16(20)24)21-12-11-18-22-13-5-2-3-6-14(13)23-18/h2-3,5-6,21H,4,7-12H2,1H3,(H,22,23)