(phenylmethyl) 4-(3,5-dimethoxy-4-phenylmethoxy-phenyl)-1-oxidanylidene-2-phenyl-isoquinoline-3-carboxylate

Systemtic Name: (phenylmethyl) 4-(3,5-dimethoxy-4-phenylmethoxy-phenyl)-1-oxidanylidene-2-phenyl-isoquinoline-3-carboxylate Openeye Name: benzyl 4-(4-benzyloxy-3,5-dimethoxy-phenyl)-1-oxo-2-phenyl-isoquinoline-3-carboxylate CAS Name: 4-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1-oxo-2-phenyl-3-isoquinolinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1-oxo-2-phenylisoquinoline-3-carboxylate Traditional Name: 4-(4-benzoxy-3,5-dimethoxy-phenyl)-1-keto-2-phenyl-isoquinoline-3-carboxylic acid benzyl ester Formula: C38H31NO6 MolecularWeight: 597.65584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C3=C(N(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C3=C(N(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C38H31NO6/c1-42-32-22-28(23-33(43-2)36(32)44-24-26-14-6-3-7-15-26)34-30-20-12-13-21-31(30)37(40)39(29-18-10-5-11-19-29)35(34)38(41)45-25-27-16-8-4-9-17-27/h3-23H,24-25H2,1-2H3