1-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-3-(phenylmethyl)pyridin-2-olate

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-3-(phenylmethyl)pyridin-2-olate Openeye Name: 3-benzyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-pyridin-2-olate CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3-(phenylmethyl)-2-pyridinolate IUPAC Name: 3-benzyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxopyridin-2-olate Traditional Name: 3-benzyl-1-homoveratryl-4-keto-pyridin-2-olate Formula: C22H22NO4- MolecularWeight: 364.41438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C=CC(=O)C(=C2[O-])CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C=CC(=O)C(=C2[O-])CC3=CC=CC=C3)OC

InChI

InChI=1S/C22H23NO4/c1-26-20-9-8-17(15-21(20)27-2)10-12-23-13-11-19(24)18(22(23)25)14-16-6-4-3-5-7-16/h3-9,11,13,15,25H,10,12,14H2,1-2H3/p-1