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

Systemtic Name: 4-[(3,4-dimethoxyphenyl)methyl]-4H-isoquinoline-1,3-dione Openeye Name: 4-[(3,4-dimethoxyphenyl)methyl]-4H-isoquinoline-1,3-dione CAS Name: 4-[(3,4-dimethoxyphenyl)methyl]-4H-isoquinoline-1,3-dione IUPAC Name: 4-[(3,4-dimethoxyphenyl)methyl]-4H-isoquinoline-1,3-dione Traditional Name: 4-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)CC2C3=CC=CC=C3C(=O)NC2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2C3=CC=CC=C3C(=O)NC2=O)OC

InChI

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