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

Systemtic Name: ethyl (1Z)-1-[(2-bromanyl-5-oxidanyl-phenyl)methylidene]-6,7-dimethoxy-5-oxidanyl-3,4-dihydroisoquinoline-2-carboxylate Openeye Name: ethyl (1Z)-1-[(2-bromo-5-hydroxy-phenyl)methylene]-5-hydroxy-6,7-dimethoxy-3,4-dihydroisoquinoline-2-carboxylate CAS Name: (1Z)-1-[(2-bromo-5-hydroxyphenyl)methylidene]-5-hydroxy-6,7-dimethoxy-3,4-dihydroisoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl (1Z)-1-[(2-bromo-5-hydroxyphenyl)methylidene]-5-hydroxy-6,7-dimethoxy-3,4-dihydroisoquinoline-2-carboxylate Traditional Name: (1Z)-1-(2-bromo-5-hydroxy-benzylidene)-5-hydroxy-6,7-dimethoxy-3,4-dihydroisoquinoline-2-carboxylic acid ethyl ester Formula: C21H22BrNO6 MolecularWeight: 464.30648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C(=C(C=C2C1=CC3=C(C=CC(=C3)O)Br)OC)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO6/c1-4-29-21(26)23-8-7-14-15(11-18(27-2)20(28-3)19(14)25)17(23)10-12-9-13(24)5-6-16(12)22/h5-6,9-11,24-25H,4,7-8H2,1-3H3/b17-10-