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

Systemtic Name: 6-bromanyl-2-[5-(4-butylphenyl)furan-2-yl]quinoline-4-carboxylate Openeye Name: 6-bromo-2-[5-(4-butylphenyl)-2-furyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[5-(4-butylphenyl)-2-furanyl]-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-[5-(4-butylphenyl)furan-2-yl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[5-(4-butylphenyl)-2-furyl]cinchoninate Formula: C24H19BrNO3- MolecularWeight: 449.31656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)[O-]

InChI

InChI=1S/C24H20BrNO3/c1-2-3-4-15-5-7-16(8-6-15)22-11-12-23(29-22)21-14-19(24(27)28)18-13-17(25)9-10-20(18)26-21/h5-14H,2-4H2,1H3,(H,27,28)/p-1