8-tert-butyl-2-[1-(4-chlorophenyl)cyclopropyl]-3-oxidanyl-quinoline-4-carboxylic acid

Systemtic Name: 8-tert-butyl-2-[1-(4-chlorophenyl)cyclopropyl]-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: 8-tert-butyl-2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-quinoline-4-carboxylic acid CAS Name: 8-tert-butyl-2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-4-quinolinecarboxylic acid IUPAC Name: 8-tert-butyl-2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxyquinoline-4-carboxylic acid Traditional Name: 8-tert-butyl-2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-cinchoninic acid Formula: C23H22ClNO3 MolecularWeight: 395.87868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC2=C(C(=C(N=C21)C3(CC3)C4=CC=C(C=C4)Cl)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=CC2=C(C(=C(N=C21)C3(CC3)C4=CC=C(C=C4)Cl)O)C(=O)O

InChI

InChI=1S/C23H22ClNO3/c1-22(2,3)16-6-4-5-15-17(21(27)28)19(26)20(25-18(15)16)23(11-12-23)13-7-9-14(24)10-8-13/h4-10,26H,11-12H2,1-3H3,(H,27,28)