6-bromanyl-2-(2-methoxy-2-oxidanylidene-1-phenyl-ethyl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-(2-methoxy-2-oxidanylidene-1-phenyl-ethyl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-(2-methoxy-2-oxo-1-phenyl-ethyl)-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-(2-methoxy-2-oxo-1-phenylethyl)-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-(2-methoxy-2-oxo-1-phenylethyl)-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-2-(2-keto-2-methoxy-1-phenyl-ethyl)-4-phenyl-isoquinoline-3-carboxylic acid Formula: C25H18BrNO5 MolecularWeight: 492.31812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)N2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)N2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

InChI

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