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

Systemtic Name: 6-bromanyl-2-[(4-methoxycarbonylphenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[(4-methoxycarbonylphenyl)methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[(4-methoxycarbonylphenyl)methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(4-methoxycarbonylphenyl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-(4-carbomethoxybenzyl)-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C25H18BrNO5 MolecularWeight: 492.31812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18BrNO5/c1-32-25(31)17-9-7-15(8-10-17)14-27-22(24(29)30)21(16-5-3-2-4-6-16)20-13-18(26)11-12-19(20)23(27)28/h2-13H,14H2,1H3,(H,29,30)