8-tert-butyl-2-[(4-chlorophenyl)methyl]-3-oxidanyl-quinoline-4-carboxylic acid

Systemtic Name: 8-tert-butyl-2-[(4-chlorophenyl)methyl]-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: 8-tert-butyl-2-[(4-chlorophenyl)methyl]-3-hydroxy-quinoline-4-carboxylic acid CAS Name: 8-tert-butyl-2-[(4-chlorophenyl)methyl]-3-hydroxy-4-quinolinecarboxylic acid IUPAC Name: 8-tert-butyl-2-[(4-chlorophenyl)methyl]-3-hydroxyquinoline-4-carboxylic acid Traditional Name: 8-tert-butyl-2-(4-chlorobenzyl)-3-hydroxy-cinchoninic acid Formula: C21H20ClNO3 MolecularWeight: 369.8414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC2=C(C(=C(N=C21)CC3=CC=C(C=C3)Cl)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=CC2=C(C(=C(N=C21)CC3=CC=C(C=C3)Cl)O)C(=O)O

InChI

InChI=1S/C21H20ClNO3/c1-21(2,3)15-6-4-5-14-17(20(25)26)19(24)16(23-18(14)15)11-12-7-9-13(22)10-8-12/h4-10,24H,11H2,1-3H3,(H,25,26)