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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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