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

Systemtic Name: 2-[5-(3-chlorophenyl)furan-2-yl]-6-ethyl-quinoline-4-carboxylic acid Openeye Name: 2-[5-(3-chlorophenyl)-2-furyl]-6-ethyl-quinoline-4-carboxylic acid CAS Name: 2-[5-(3-chlorophenyl)-2-furanyl]-6-ethyl-4-quinolinecarboxylic acid IUPAC Name: 2-[5-(3-chlorophenyl)furan-2-yl]-6-ethylquinoline-4-carboxylic acid Traditional Name: 2-[5-(3-chlorophenyl)-2-furyl]-6-ethyl-cinchoninic acid Formula: C22H16ClNO3 MolecularWeight: 377.82034

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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(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClNO3/c1-2-13-6-7-18-16(10-13)17(22(25)26)12-19(24-18)21-9-8-20(27-21)14-4-3-5-15(23)11-14/h3-12H,2H2,1H3,(H,25,26)