6-bromanyl-2-(2,3-dihydro-1H-inden-1-yl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-(2,3-dihydro-1H-inden-1-yl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-indan-1-yl-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-(2,3-dihydro-1H-inden-1-yl)-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-(2,3-dihydro-1H-inden-1-yl)-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-indan-1-yl-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C25H18BrNO3 MolecularWeight: 460.31932

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C1N3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2C1N3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C25H18BrNO3/c26-17-11-12-19-20(14-17)22(16-7-2-1-3-8-16)23(25(29)30)27(24(19)28)21-13-10-15-6-4-5-9-18(15)21/h1-9,11-12,14,21H,10,13H2,(H,29,30)