2-[5-(2-bromanyl-4-methyl-phenyl)furan-2-yl]-6-ethyl-quinoline-4-carboxylate

Systemtic Name: 2-[5-(2-bromanyl-4-methyl-phenyl)furan-2-yl]-6-ethyl-quinoline-4-carboxylate Openeye Name: 2-[5-(2-bromo-4-methyl-phenyl)-2-furyl]-6-ethyl-quinoline-4-carboxylate CAS Name: 2-[5-(2-bromo-4-methylphenyl)-2-furanyl]-6-ethyl-4-quinolinecarboxylate IUPAC Name: 2-[5-(2-bromo-4-methylphenyl)furan-2-yl]-6-ethylquinoline-4-carboxylate Traditional Name: 2-[5-(2-bromo-4-methyl-phenyl)-2-furyl]-6-ethyl-cinchoninate Formula: C23H17BrNO3- MolecularWeight: 435.28998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC=C(O3)C4=C(C=C(C=C4)C)Br

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC=C(O3)C4=C(C=C(C=C4)C)Br

InChI

InChI=1S/C23H18BrNO3/c1-3-14-5-7-19-16(11-14)17(23(26)27)12-20(25-19)22-9-8-21(28-22)15-6-4-13(2)10-18(15)24/h4-12H,3H2,1-2H3,(H,26,27)/p-1