ethanedioic acid; 8-methoxy-1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-6,7-bis(phenylmethoxy)-3,4-dihydroisoquinoline

Systemtic Name: ethanedioic acid; 8-methoxy-1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-6,7-bis(phenylmethoxy)-3,4-dihydroisoquinoline Openeye Name: 6,7-dibenzyloxy-1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-8-methoxy-3,4-dihydroisoquinoline; oxalic acid CAS Name: 8-methoxy-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-6,7-bis(phenylmethoxy)-3,4-dihydroisoquinoline; oxalic acid IUPAC Name: 8-methoxy-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-6,7-bis(phenylmethoxy)-3,4-dihydroisoquinoline; oxalic acid Traditional Name: 6,7-dibenzoxy-1-(3-benzoxy-4-methoxy-benzyl)-8-methoxy-3,4-dihydroisoquinoline; oxalic acid Formula: C41H39NO9 MolecularWeight: 689.74966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NCCC3=CC(=C(C(=C32)OC)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NCCC3=CC(=C(C(=C32)OC)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6.C(=O)(C(=O)O)O

InChI

InChI=1S/C39H37NO5.C2H2O4/c1-41-34-19-18-31(23-35(34)43-25-28-12-6-3-7-13-28)22-33-37-32(20-21-40-33)24-36(44-26-29-14-8-4-9-15-29)38(39(37)42-2)45-27-30-16-10-5-11-17-30;3-1(4)2(5)6/h3-19,23-24H,20-22,25-27H2,1-2H3;(H,3,4)(H,5,6)