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

Systemtic Name: 6-bromanyl-2-[[4-(carboxymethyloxy)phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-(carboxymethyloxy)phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-(carboxymethyloxy)phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-(carboxymethyloxy)phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[4-(carboxymethyloxy)benzyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C25H18BrNO6 MolecularWeight: 508.31752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CC=C(C=C4)OCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CC=C(C=C4)OCC(=O)O)C(=O)O

InChI

InChI=1S/C25H18BrNO6/c26-17-8-11-19-20(12-17)22(16-4-2-1-3-5-16)23(25(31)32)27(24(19)30)13-15-6-9-18(10-7-15)33-14-21(28)29/h1-12H,13-14H2,(H,28,29)(H,31,32)