2-[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]-6-ethyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]-6-ethyl-quinoline-4-carboxylic acid Openeye Name: 2-[5-(3-chloro-4-methyl-phenyl)-2-furyl]-6-ethyl-quinoline-4-carboxylic acid CAS Name: 2-[5-(3-chloro-4-methylphenyl)-2-furanyl]-6-ethyl-4-quinolinecarboxylic acid IUPAC Name: 2-[5-(3-chloro-4-methylphenyl)furan-2-yl]-6-ethylquinoline-4-carboxylic acid Traditional Name: 2-[5-(3-chloro-4-methyl-phenyl)-2-furyl]-6-ethyl-cinchoninic acid Formula: C23H18ClNO3 MolecularWeight: 391.84692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(O3)C4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(O3)C4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C23H18ClNO3/c1-3-14-5-7-19-16(10-14)17(23(26)27)12-20(25-19)22-9-8-21(28-22)15-6-4-13(2)18(24)11-15/h4-12H,3H2,1-2H3,(H,26,27)