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

Systemtic Name: 6-bromanyl-2-[[4-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-(2-methoxy-2-oxo-ethoxy)phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-(2-methoxy-2-oxoethoxy)phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-(2-methoxy-2-oxoethoxy)phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-2-[4-(2-keto-2-methoxy-ethoxy)benzyl]-4-phenyl-isoquinoline-3-carboxylic acid Formula: C26H20BrNO6 MolecularWeight: 522.3441

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H20BrNO6/c1-33-22(29)15-34-19-10-7-16(8-11-19)14-28-24(26(31)32)23(17-5-3-2-4-6-17)21-13-18(27)9-12-20(21)25(28)30/h2-13H,14-15H2,1H3,(H,31,32)