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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC2=CC=CC=C21)N3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1C(CC2=CC=CC=C21)N3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

InChI

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