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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-pyridin-2-olate Openeye Name: 3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-pyridin-2-olate CAS Name: 3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-pyridinolate IUPAC Name: 3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxopyridin-2-olate Traditional Name: 3-(4-chlorobenzyl)-1-homoveratryl-4-keto-pyridin-2-olate Formula: C22H21ClNO4- MolecularWeight: 398.85944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClNO4/c1-27-20-8-5-16(14-21(20)28-2)9-11-24-12-10-19(25)18(22(24)26)13-15-3-6-17(23)7-4-15/h3-8,10,12,14,26H,9,11,13H2,1-2H3/p-1