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

Systemtic Name: 6-bromanyl-2-[5-(4-ethylphenyl)furan-2-yl]quinoline-4-carboxylate Openeye Name: 6-bromo-2-[5-(4-ethylphenyl)-2-furyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[5-(4-ethylphenyl)-2-furanyl]-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-[5-(4-ethylphenyl)furan-2-yl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[5-(4-ethylphenyl)-2-furyl]cinchoninate Formula: C22H15BrNO3- MolecularWeight: 421.2634

Click to see the large picture

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)/p-1