2-[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]quinoline-4-carboxylate

Systemtic Name: 2-[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]quinoline-4-carboxylate Openeye Name: 2-[5-(3-chloro-4-methyl-phenyl)-2-furyl]quinoline-4-carboxylate CAS Name: 2-[5-(3-chloro-4-methylphenyl)-2-furanyl]-4-quinolinecarboxylate IUPAC Name: 2-[5-(3-chloro-4-methylphenyl)furan-2-yl]quinoline-4-carboxylate Traditional Name: 2-[5-(3-chloro-4-methyl-phenyl)-2-furyl]cinchoninate Formula: C21H13ClNO3- MolecularWeight: 362.78582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClNO3/c1-12-6-7-13(10-16(12)22)19-8-9-20(26-19)18-11-15(21(24)25)14-4-2-3-5-17(14)23-18/h2-11H,1H3,(H,24,25)/p-1