6-butyl-2-[5-(4-chlorophenyl)furan-2-yl]quinoline-4-carboxylate

Systemtic Name: 6-butyl-2-[5-(4-chlorophenyl)furan-2-yl]quinoline-4-carboxylate Openeye Name: 6-butyl-2-[5-(4-chlorophenyl)-2-furyl]quinoline-4-carboxylate CAS Name: 6-butyl-2-[5-(4-chlorophenyl)-2-furanyl]-4-quinolinecarboxylate IUPAC Name: 6-butyl-2-[5-(4-chlorophenyl)furan-2-yl]quinoline-4-carboxylate Traditional Name: 6-butyl-2-[5-(4-chlorophenyl)-2-furyl]cinchoninate Formula: C24H19ClNO3- MolecularWeight: 404.86556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20ClNO3/c1-2-3-4-15-5-10-20-18(13-15)19(24(27)28)14-21(26-20)23-12-11-22(29-23)16-6-8-17(25)9-7-16/h5-14H,2-4H2,1H3,(H,27,28)/p-1