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

Systemtic Name: ethanedioic acid; 2-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(4-benzyloxy-3-methoxy-phenyl)methyl]-3,4-dihydro-1H-isoquinoline; oxalic acid CAS Name: 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline; oxalic acid IUPAC Name: 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline; oxalic acid Traditional Name: 2-(4-benzoxy-3-methoxy-benzyl)-3,4-dihydro-1H-isoquinoline; oxalic acid Formula: C26H27NO6 MolecularWeight: 449.49568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCC3=CC=CC=C3C2)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCC3=CC=CC=C3C2)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H25NO2.C2H2O4/c1-26-24-15-20(11-12-23(24)27-18-19-7-3-2-4-8-19)16-25-14-13-21-9-5-6-10-22(21)17-25;3-1(4)2(5)6/h2-12,15H,13-14,16-18H2,1H3;(H,3,4)(H,5,6)