6-butan-2-yl-2-(3-chlorophenyl)quinoline-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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