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

Systemtic Name: 3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-keto-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C18H16BrNO5 MolecularWeight: 406.22734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrNO5/c1-20-15(9-7-12(19)16(21)13(8-9)25-2)14(18(23)24)10-5-3-4-6-11(10)17(20)22/h3-8,14-15,21H,1-2H3,(H,23,24)