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

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-4H-isoquinoline-1,3-dione Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-4H-isoquinoline-1,3-dione CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-4H-isoquinoline-1,3-dione Traditional Name: 4-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)CCC2C3=CC=CC=C3C(=O)NC2=O)OC

Isomeric SMILES

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

InChI

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