6,7-dimethoxy-2-[(4-methoxy-3-methyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline; ethanedioic acid

Systemtic Name: 6,7-dimethoxy-2-[(4-methoxy-3-methyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline; ethanedioic acid Openeye Name: 6,7-dimethoxy-2-[(4-methoxy-3-methyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline; oxalic acid CAS Name: 6,7-dimethoxy-2-[(4-methoxy-3-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline; oxalic acid IUPAC Name: 6,7-dimethoxy-2-[(4-methoxy-3-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline; oxalic acid Traditional Name: 6,7-dimethoxy-2-(4-methoxy-3-methyl-benzyl)-3,4-dihydro-1H-isoquinoline; oxalic acid Formula: C22H27NO7 MolecularWeight: 417.45228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CCC3=CC(=C(C=C3C2)OC)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CCC3=CC(=C(C=C3C2)OC)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25NO3.C2H2O4/c1-14-9-15(5-6-18(14)22-2)12-21-8-7-16-10-19(23-3)20(24-4)11-17(16)13-21;3-1(4)2(5)6/h5-6,9-11H,7-8,12-13H2,1-4H3;(H,3,4)(H,5,6)