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

Systemtic Name: 6-bromanyl-2-[[4-(2-carboxyethyl)phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-(2-carboxyethyl)phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-(2-carboxyethyl)phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-(2-carboxyethyl)phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[4-(2-carboxyethyl)benzyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C26H20BrNO5 MolecularWeight: 506.3447

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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)CCC(=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)CCC(=O)O)C(=O)O

InChI

InChI=1S/C26H20BrNO5/c27-19-11-12-20-21(14-19)23(18-4-2-1-3-5-18)24(26(32)33)28(25(20)31)15-17-8-6-16(7-9-17)10-13-22(29)30/h1-9,11-12,14H,10,13,15H2,(H,29,30)(H,32,33)