ethyl (1Z)-1-[(2-bromanyl-5-phenylmethoxy-phenyl)methylidene]-5,7-dimethoxy-6-phenylmethoxy-3,4-dihydroisoquinoline-2-carboxylate

Systemtic Name: ethyl (1Z)-1-[(2-bromanyl-5-phenylmethoxy-phenyl)methylidene]-5,7-dimethoxy-6-phenylmethoxy-3,4-dihydroisoquinoline-2-carboxylate Openeye Name: ethyl (1Z)-6-benzyloxy-1-[(5-benzyloxy-2-bromo-phenyl)methylene]-5,7-dimethoxy-3,4-dihydroisoquinoline-2-carboxylate CAS Name: (1Z)-1-[(2-bromo-5-phenylmethoxyphenyl)methylidene]-5,7-dimethoxy-6-phenylmethoxy-3,4-dihydroisoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl (1Z)-1-[(2-bromo-5-phenylmethoxyphenyl)methylidene]-5,7-dimethoxy-6-phenylmethoxy-3,4-dihydroisoquinoline-2-carboxylate Traditional Name: (1Z)-6-benzoxy-1-(5-benzoxy-2-bromo-benzylidene)-5,7-dimethoxy-3,4-dihydroisoquinoline-2-carboxylic acid ethyl ester Formula: C35H34BrNO6 MolecularWeight: 644.55156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C(=C(C=C2C1=CC3=C(C=CC(=C3)OCC4=CC=CC=C4)Br)OC)OCC5=CC=CC=C5)OC

Isomeric SMILES

CCOC(=O)N\1CCC2=C(C(=C(C=C2/C1=C/C3=C(C=CC(=C3)OCC4=CC=CC=C4)Br)OC)OCC5=CC=CC=C5)OC

InChI

InChI=1S/C35H34BrNO6/c1-4-41-35(38)37-18-17-28-29(21-32(39-2)34(33(28)40-3)43-23-25-13-9-6-10-14-25)31(37)20-26-19-27(15-16-30(26)36)42-22-24-11-7-5-8-12-24/h5-16,19-21H,4,17-18,22-23H2,1-3H3/b31-20-