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

Systemtic Name: 2-[5-(2-bromanyl-4-methyl-phenyl)furan-2-yl]quinoline-4-carboxylate Openeye Name: 2-[5-(2-bromo-4-methyl-phenyl)-2-furyl]quinoline-4-carboxylate CAS Name: 2-[5-(2-bromo-4-methylphenyl)-2-furanyl]-4-quinolinecarboxylate IUPAC Name: 2-[5-(2-bromo-4-methylphenyl)furan-2-yl]quinoline-4-carboxylate Traditional Name: 2-[5-(2-bromo-4-methyl-phenyl)-2-furyl]cinchoninate Formula: C21H13BrNO3- MolecularWeight: 407.23682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=C(O2)C3=NC4=CC=CC=C4C(=C3)C(=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=C(O2)C3=NC4=CC=CC=C4C(=C3)C(=O)[O-])Br

InChI

InChI=1S/C21H14BrNO3/c1-12-6-7-14(16(22)10-12)19-8-9-20(26-19)18-11-15(21(24)25)13-4-2-3-5-17(13)23-18/h2-11H,1H3,(H,24,25)/p-1