4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol; ethanedioic acid

Systemtic Name: 4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol; oxalic acid CAS Name: 4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol; oxalic acid IUPAC Name: 4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol; oxalic acid Traditional Name: 4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol; oxalic acid Formula: C21H25NO7 MolecularWeight: 403.4257

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC=C(C=C3)O)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23NO3.C2H2O4/c1-20-9-8-14-11-18(22-2)19(23-3)12-16(14)17(20)10-13-4-6-15(21)7-5-13;3-1(4)2(5)6/h4-7,11-12,17,21H,8-10H2,1-3H3;(H,3,4)(H,5,6)/t17-;/m0./s1