4-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline

Systemtic Name: 4-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline Openeye Name: 4-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline CAS Name: 4-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline IUPAC Name: 4-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline Traditional Name: 4-(chloromethyl)-6,7-dimethoxy-1-veratryl-isoquinoline Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC=C(C3=CC(=C(C=C32)OC)OC)CCl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC=C(C3=CC(=C(C=C32)OC)OC)CCl)OC

InChI

InChI=1S/C21H22ClNO4/c1-24-18-6-5-13(8-19(18)25-2)7-17-16-10-21(27-4)20(26-3)9-15(16)14(11-22)12-23-17/h5-6,8-10,12H,7,11H2,1-4H3