1-tert-butyl-6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-tert-butyl-6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-6-[(3-chloro-2-fluoro-phenyl)methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-6-[(3-chloro-2-fluorophenyl)methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-6-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-6-(3-chloro-2-fluoro-benzyl)-4-keto-quinoline-3-carboxylic acid Formula: C21H19ClFNO3 MolecularWeight: 387.831863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=C1C=CC(=C2)CC3=C(C(=CC=C3)Cl)F)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=C1C=CC(=C2)CC3=C(C(=CC=C3)Cl)F)C(=O)O

InChI

InChI=1S/C21H19ClFNO3/c1-21(2,3)24-11-15(20(26)27)19(25)14-10-12(7-8-17(14)24)9-13-5-4-6-16(22)18(13)23/h4-8,10-11H,9H2,1-3H3,(H,26,27)