(5S)-5-(3,4-dimethoxyphenyl)-3-oxidanylidene-2-(phenethyliminomethyl)cyclohexen-1-olate

Systemtic Name: (5S)-5-(3,4-dimethoxyphenyl)-3-oxidanylidene-2-(phenethyliminomethyl)cyclohexen-1-olate Openeye Name: (5S)-5-(3,4-dimethoxyphenyl)-3-oxo-2-(phenethyliminomethyl)cyclohexen-1-olate CAS Name: (5S)-5-(3,4-dimethoxyphenyl)-3-oxo-2-(phenethyliminomethyl)-1-cyclohexenolate IUPAC Name: (5S)-5-(3,4-dimethoxyphenyl)-3-oxo-2-(phenethyliminomethyl)cyclohexen-1-olate Traditional Name: (5S)-5-(3,4-dimethoxyphenyl)-3-keto-2-(phenethyliminomethyl)cyclohexen-1-olate Formula: C23H24NO4- MolecularWeight: 378.44096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=C(C(=O)C2)C=NCCC3=CC=CC=C3)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2CC(=C(C(=O)C2)C=NCCC3=CC=CC=C3)[O-])OC

InChI

InChI=1S/C23H25NO4/c1-27-22-9-8-17(14-23(22)28-2)18-12-20(25)19(21(26)13-18)15-24-11-10-16-6-4-3-5-7-16/h3-9,14-15,18,25H,10-13H2,1-2H3/p-1/t18-/m0/s1