6-butyl-2-(3-chlorophenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-butyl-2-(3-chlorophenyl)quinoline-4-carboxylic acid Openeye Name: 6-butyl-2-(3-chlorophenyl)quinoline-4-carboxylic acid CAS Name: 6-butyl-2-(3-chlorophenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butyl-2-(3-chlorophenyl)quinoline-4-carboxylic acid Traditional Name: 6-butyl-2-(3-chlorophenyl)cinchoninic acid Formula: C20H18ClNO2 MolecularWeight: 339.81542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H18ClNO2/c1-2-3-5-13-8-9-18-16(10-13)17(20(23)24)12-19(22-18)14-6-4-7-15(21)11-14/h4,6-12H,2-3,5H2,1H3,(H,23,24)