2-[5-(4-butylphenyl)furan-2-yl]quinoline-4-carboxylate

Systemtic Name: 2-[5-(4-butylphenyl)furan-2-yl]quinoline-4-carboxylate Openeye Name: 2-[5-(4-butylphenyl)-2-furyl]quinoline-4-carboxylate CAS Name: 2-[5-(4-butylphenyl)-2-furanyl]-4-quinolinecarboxylate IUPAC Name: 2-[5-(4-butylphenyl)furan-2-yl]quinoline-4-carboxylate Traditional Name: 2-[5-(4-butylphenyl)-2-furyl]cinchoninate Formula: C24H20NO3- MolecularWeight: 370.4205

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC=C(O2)C3=NC4=CC=CC=C4C(=C3)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC=C(O2)C3=NC4=CC=CC=C4C(=C3)C(=O)[O-]

InChI

InChI=1S/C24H21NO3/c1-2-3-6-16-9-11-17(12-10-16)22-13-14-23(28-22)21-15-19(24(26)27)18-7-4-5-8-20(18)25-21/h4-5,7-15H,2-3,6H2,1H3,(H,26,27)/p-1