2-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethoxy-3-oxidanylidene-1,4-dihydroisoquinoline-1-carboxylic acid

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethoxy-3-oxidanylidene-1,4-dihydroisoquinoline-1-carboxylic acid Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethoxy-3-oxo-1,4-dihydroisoquinoline-1-carboxylic acid CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethoxy-3-oxo-1,4-dihydroisoquinoline-1-carboxylic acid IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethoxy-3-oxo-1,4-dihydroisoquinoline-1-carboxylic acid Traditional Name: 2-homoveratryl-3-keto-5,6-dimethoxy-1,4-dihydroisoquinoline-1-carboxylic acid Formula: C22H25NO7 MolecularWeight: 415.4364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(C3=C(CC2=O)C(=C(C=C3)OC)OC)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(C3=C(CC2=O)C(=C(C=C3)OC)OC)C(=O)O)OC

InChI

InChI=1S/C22H25NO7/c1-27-16-7-5-13(11-18(16)29-3)9-10-23-19(24)12-15-14(20(23)22(25)26)6-8-17(28-2)21(15)30-4/h5-8,11,20H,9-10,12H2,1-4H3,(H,25,26)