6-bromanyl-2-[(3-methoxyphenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-[(3-methoxyphenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[(3-methoxyphenyl)methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[(3-methoxyphenyl)methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(3-methoxyphenyl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-2-m-anisyl-4-phenyl-isoquinoline-3-carboxylic acid Formula: C24H18BrNO4 MolecularWeight: 464.30802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H18BrNO4/c1-30-18-9-5-6-15(12-18)14-26-22(24(28)29)21(16-7-3-2-4-8-16)20-13-17(25)10-11-19(20)23(26)27/h2-13H,14H2,1H3,(H,28,29)