(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one

Systemtic Name: (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one Openeye Name: (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one CAS Name: (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one IUPAC Name: (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one Traditional Name: (1S)-6,7-dimethoxy-1-veratryl-2,4-dihydro-1H-isoquinolin-3-one Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CC(=O)N2)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[C@H]2C3=CC(=C(C=C3CC(=O)N2)OC)OC)OC

InChI

InChI=1S/C20H23NO5/c1-23-16-6-5-12(8-17(16)24-2)7-15-14-11-19(26-4)18(25-3)9-13(14)10-20(22)21-15/h5-6,8-9,11,15H,7,10H2,1-4H3,(H,21,22)/t15-/m0/s1