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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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