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

Systemtic Name: 6,7-dimethoxy-2-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline; ethanedioic acid Openeye Name: 2-[(4-benzyloxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline; oxalic acid CAS Name: 6,7-dimethoxy-2-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline; oxalic acid IUPAC Name: 6,7-dimethoxy-2-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline; oxalic acid Traditional Name: 2-(4-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=C(C=C3)OCC4=CC=CC=C4)OC.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

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