4-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-4H-isoquinoline-1,3-dione

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-4H-isoquinoline-1,3-dione Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-4H-isoquinoline-1,3-dione CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-4H-isoquinoline-1,3-dione IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-4H-isoquinoline-1,3-dione Traditional Name: 4-homoveratryl-6,7-dimethoxy-4H-isoquinoline-1,3-quinone Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC2C3=CC(=C(C=C3C(=O)NC2=O)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC2C3=CC(=C(C=C3C(=O)NC2=O)OC)OC)OC

InChI

InChI=1S/C21H23NO6/c1-25-16-8-6-12(9-17(16)26-2)5-7-13-14-10-18(27-3)19(28-4)11-15(14)21(24)22-20(13)23/h6,8-11,13H,5,7H2,1-4H3,(H,22,23,24)