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

Systemtic Name: 6-bromanyl-2-[5-(4-propan-2-ylphenyl)furan-2-yl]quinoline-4-carboxylate Openeye Name: 6-bromo-2-[5-(4-isopropylphenyl)-2-furyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[5-(4-propan-2-ylphenyl)-2-furanyl]-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-[5-(4-propan-2-ylphenyl)furan-2-yl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-(5-p-cumenyl-2-furyl)cinchoninate Formula: C23H17BrNO3- MolecularWeight: 435.28998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)[O-]

InChI

InChI=1S/C23H18BrNO3/c1-13(2)14-3-5-15(6-4-14)21-9-10-22(28-21)20-12-18(23(26)27)17-11-16(24)7-8-19(17)25-20/h3-13H,1-2H3,(H,26,27)/p-1