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

Systemtic Name: 6-bromanyl-2-[5-(4-methylphenyl)furan-2-yl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[5-(p-tolyl)-2-furyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[5-(4-methylphenyl)-2-furanyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[5-(4-methylphenyl)furan-2-yl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[5-(p-tolyl)-2-furyl]cinchoninic acid Formula: C21H14BrNO3 MolecularWeight: 408.24476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)O

InChI

InChI=1S/C21H14BrNO3/c1-12-2-4-13(5-3-12)19-8-9-20(26-19)18-11-16(21(24)25)15-10-14(22)6-7-17(15)23-18/h2-11H,1H3,(H,24,25)