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

Systemtic Name: 6-tert-butyl-2-(3-chlorophenyl)quinoline-4-carboxylic acid Openeye Name: 6-tert-butyl-2-(3-chlorophenyl)quinoline-4-carboxylic acid CAS Name: 6-tert-butyl-2-(3-chlorophenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-tert-butyl-2-(3-chlorophenyl)quinoline-4-carboxylic acid Traditional Name: 6-tert-butyl-2-(3-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(=CC=C3)Cl

Isomeric SMILES

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

InChI

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