6-bromanyl-2-[5-(4-ethylphenyl)furan-2-yl]quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-[5-(4-ethylphenyl)furan-2-yl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[5-(4-ethylphenyl)-2-furyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[5-(4-ethylphenyl)-2-furanyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[5-(4-ethylphenyl)furan-2-yl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[5-(4-ethylphenyl)-2-furyl]cinchoninic acid Formula: C22H16BrNO3 MolecularWeight: 422.27134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)O

InChI

InChI=1S/C22H16BrNO3/c1-2-13-3-5-14(6-4-13)20-9-10-21(27-20)19-12-17(22(25)26)16-11-15(23)7-8-18(16)24-19/h3-12H,2H2,1H3,(H,25,26)