2-[5-(3-bromophenyl)furan-2-yl]quinoline-4-carboxylic acid

Systemtic Name: 2-[5-(3-bromophenyl)furan-2-yl]quinoline-4-carboxylic acid Openeye Name: 2-[5-(3-bromophenyl)-2-furyl]quinoline-4-carboxylic acid CAS Name: 2-[5-(3-bromophenyl)-2-furanyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[5-(3-bromophenyl)furan-2-yl]quinoline-4-carboxylic acid Traditional Name: 2-[5-(3-bromophenyl)-2-furyl]cinchoninic acid Formula: C20H12BrNO3 MolecularWeight: 394.21818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(O3)C4=CC(=CC=C4)Br)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(O3)C4=CC(=CC=C4)Br)C(=O)O

InChI

InChI=1S/C20H12BrNO3/c21-13-5-3-4-12(10-13)18-8-9-19(25-18)17-11-15(20(23)24)14-6-1-2-7-16(14)22-17/h1-11H,(H,23,24)