4-[5-bromanyl-1-(6-chloranyl-4-phenyl-quinolin-2-yl)indol-3-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-bromanyl-1-(6-chloranyl-4-phenyl-quinolin-2-yl)indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-bromo-1-(6-chloro-4-phenyl-2-quinolyl)indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[5-bromo-1-(6-chloro-4-phenyl-2-quinolinyl)-3-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[5-bromo-1-(6-chloro-4-phenylquinolin-2-yl)indol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[5-bromo-1-(6-chloro-4-phenyl-2-quinolyl)indol-3-yl]-4-keto-butyric acid Formula: C27H18BrClN2O3 MolecularWeight: 533.80042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC3=C2C=C(C=C3)Cl)N4C=C(C5=C4C=CC(=C5)Br)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC3=C2C=C(C=C3)Cl)N4C=C(C5=C4C=CC(=C5)Br)C(=O)CCC(=O)O

InChI

InChI=1S/C27H18BrClN2O3/c28-17-6-9-24-21(12-17)22(25(32)10-11-27(33)34)15-31(24)26-14-19(16-4-2-1-3-5-16)20-13-18(29)7-8-23(20)30-26/h1-9,12-15H,10-11H2,(H,33,34)