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

Systemtic Name: 6,7-dimethoxy-2-[(3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline; ethanedioic acid Openeye Name: 2-[(3-benzyloxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline; oxalic acid CAS Name: 6,7-dimethoxy-2-[(3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline; oxalic acid IUPAC Name: 6,7-dimethoxy-2-[(3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline; oxalic acid Traditional Name: 2-(3-benzoxybenzyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline; oxalic acid Formula: C27H29NO7 MolecularWeight: 479.52166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CC3=CC(=CC=C3)OCC4=CC=CC=C4)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CC3=CC(=CC=C3)OCC4=CC=CC=C4)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H27NO3.C2H2O4/c1-27-24-14-21-11-12-26(17-22(21)15-25(24)28-2)16-20-9-6-10-23(13-20)29-18-19-7-4-3-5-8-19;3-1(4)2(5)6/h3-10,13-15H,11-12,16-18H2,1-2H3;(H,3,4)(H,5,6)