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

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-homoveratryl-4H-isoquinoline-1,3-quinone Formula: C19H19NO4 MolecularWeight: 325.35846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)CC3=CC=CC=C3C2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)CC3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C19H19NO4/c1-23-16-8-7-13(11-17(16)24-2)9-10-20-18(21)12-14-5-3-4-6-15(14)19(20)22/h3-8,11H,9-10,12H2,1-2H3