2-[5-[3,5-bis(chloranyl)phenyl]furan-2-yl]-6-butyl-quinoline-4-carboxylate

Systemtic Name: 2-[5-[3,5-bis(chloranyl)phenyl]furan-2-yl]-6-butyl-quinoline-4-carboxylate Openeye Name: 6-butyl-2-[5-(3,5-dichlorophenyl)-2-furyl]quinoline-4-carboxylate CAS Name: 6-butyl-2-[5-(3,5-dichlorophenyl)-2-furanyl]-4-quinolinecarboxylate IUPAC Name: 6-butyl-2-[5-(3,5-dichlorophenyl)furan-2-yl]quinoline-4-carboxylate Traditional Name: 6-butyl-2-[5-(3,5-dichlorophenyl)-2-furyl]cinchoninate Formula: C24H18Cl2NO3- MolecularWeight: 439.31062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC=C(O3)C4=CC(=CC(=C4)Cl)Cl

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC=C(O3)C4=CC(=CC(=C4)Cl)Cl

InChI

InChI=1S/C24H19Cl2NO3/c1-2-3-4-14-5-6-20-18(9-14)19(24(28)29)13-21(27-20)23-8-7-22(30-23)15-10-16(25)12-17(26)11-15/h5-13H,2-4H2,1H3,(H,28,29)/p-1