6-oxidanyl-7-phenylmethoxy-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-isoquinoline-1-carboxylic acid

Systemtic Name: 6-oxidanyl-7-phenylmethoxy-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-isoquinoline-1-carboxylic acid Openeye Name: 7-benzyloxy-1-[(4-benzyloxyphenyl)methyl]-6-hydroxy-3,4-dihydro-2H-isoquinoline-1-carboxylic acid CAS Name: 6-hydroxy-7-phenylmethoxy-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-isoquinoline-1-carboxylic acid IUPAC Name: 6-hydroxy-7-phenylmethoxy-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-isoquinoline-1-carboxylic acid Traditional Name: 7-benzoxy-1-(4-benzoxybenzyl)-6-hydroxy-3,4-dihydro-2H-isoquinoline-1-carboxylic acid Formula: C31H29NO5 MolecularWeight: 495.56566

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC(=C(C=C21)O)OCC3=CC=CC=C3)(CC4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CNC(C2=CC(=C(C=C21)O)OCC3=CC=CC=C3)(CC4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C31H29NO5/c33-28-17-25-15-16-32-31(30(34)35,27(25)18-29(28)37-21-24-9-5-2-6-10-24)19-22-11-13-26(14-12-22)36-20-23-7-3-1-4-8-23/h1-14,17-18,32-33H,15-16,19-21H2,(H,34,35)