2-[(4-chlorophenyl)methyl]-8-(furan-3-yl)-3-oxidanyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[(4-chlorophenyl)methyl]-8-(furan-3-yl)-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: 2-[(4-chlorophenyl)methyl]-8-(3-furyl)-3-hydroxy-quinoline-4-carboxylic acid CAS Name: 2-[(4-chlorophenyl)methyl]-8-(3-furanyl)-3-hydroxy-4-quinolinecarboxylic acid IUPAC Name: 2-[(4-chlorophenyl)methyl]-8-(furan-3-yl)-3-hydroxyquinoline-4-carboxylic acid Traditional Name: 2-(4-chlorobenzyl)-8-(3-furyl)-3-hydroxy-cinchoninic acid Formula: C21H14ClNO4 MolecularWeight: 379.79316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(N=C2C(=C1)C3=COC=C3)CC4=CC=C(C=C4)Cl)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C(N=C2C(=C1)C3=COC=C3)CC4=CC=C(C=C4)Cl)O)C(=O)O

InChI

InChI=1S/C21H14ClNO4/c22-14-6-4-12(5-7-14)10-17-20(24)18(21(25)26)16-3-1-2-15(19(16)23-17)13-8-9-27-11-13/h1-9,11,24H,10H2,(H,25,26)