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

Systemtic Name: methyl 4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-6-oxidanylidene-4-phenyl-cyclohexen-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-6-oxo-4-phenyl-cyclohexen-1-yl]-4-oxo-butanoate CAS Name: 4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-6-oxo-4-phenyl-1-cyclohexenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-6-oxo-4-phenylcyclohexen-1-yl]-4-oxobutanoate Traditional Name: 4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-6-keto-4-phenyl-cyclohexen-1-yl]-4-keto-butyric acid methyl ester Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C1=C(CC(CC1=O)C2=CC=CC=C2)NCCC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)CCC(=O)C1=C(CC(CC1=O)C2=CC=CC=C2)NCCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C26H27N3O4/c1-33-25(32)12-11-22(30)26-21(15-18(16-23(26)31)17-7-3-2-4-8-17)27-14-13-24-28-19-9-5-6-10-20(19)29-24/h2-10,18,27H,11-16H2,1H3,(H,28,29)