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

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 3-(3-bromo-4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-1-keto-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C18H16BrNO4 MolecularWeight: 390.22794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrNO4/c1-20-16(10-7-8-14(24-2)13(19)9-10)15(18(22)23)11-5-3-4-6-12(11)17(20)21/h3-9,15-16H,1-2H3,(H,22,23)