4-[(2,6-ditert-butylpyridin-4-yl)carbonylamino]-2-fluoranyl-benzoic acid

Systemtic Name: 4-[(2,6-ditert-butylpyridin-4-yl)carbonylamino]-2-fluoranyl-benzoic acid Openeye Name: 4-[(2,6-ditert-butylpyridine-4-carbonyl)amino]-2-fluoro-benzoic acid CAS Name: 4-[[(2,6-ditert-butyl-4-pyridinyl)-oxomethyl]amino]-2-fluorobenzoic acid IUPAC Name: 4-[(2,6-ditert-butylpyridine-4-carbonyl)amino]-2-fluorobenzoic acid Traditional Name: 4-[(2,6-ditert-butylisonicotinoyl)amino]-2-fluoro-benzoic acid Formula: C21H25FN2O3 MolecularWeight: 372.433203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=N1)C(C)(C)C)C(=O)NC2=CC(=C(C=C2)C(=O)O)F

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=N1)C(C)(C)C)C(=O)NC2=CC(=C(C=C2)C(=O)O)F

InChI

InChI=1S/C21H25FN2O3/c1-20(2,3)16-9-12(10-17(24-16)21(4,5)6)18(25)23-13-7-8-14(19(26)27)15(22)11-13/h7-11H,1-6H3,(H,23,25)(H,26,27)