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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-veratryl-4H-isoquinoline-1,3-quinone Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)CC3=CC=CC=C3C2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)CC3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C18H17NO4/c1-22-15-8-7-12(9-16(15)23-2)11-19-17(20)10-13-5-3-4-6-14(13)18(19)21/h3-9H,10-11H2,1-2H3