3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6,7-dimethoxy-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6,7-dimethoxy-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-keto-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C20H20BrNO7 MolecularWeight: 466.2793

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=CC(=C(C(=C3)Br)O)OC

Isomeric SMILES

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=CC(=C(C(=C3)Br)O)OC

InChI

InChI=1S/C20H20BrNO7/c1-22-17(9-5-12(21)18(23)15(6-9)29-4)16(20(25)26)10-7-13(27-2)14(28-3)8-11(10)19(22)24/h5-8,16-17,23H,1-4H3,(H,25,26)