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

Systemtic Name: 4-[(2,6-ditert-butylpyridin-4-yl)carbamoyl]-2-fluoranyl-benzoic acid Openeye Name: 4-[(2,6-ditert-butyl-4-pyridyl)carbamoyl]-2-fluoro-benzoic acid CAS Name: 4-[[(2,6-ditert-butyl-4-pyridinyl)amino]-oxomethyl]-2-fluorobenzoic acid IUPAC Name: 4-[(2,6-ditert-butylpyridin-4-yl)carbamoyl]-2-fluorobenzoic acid Traditional Name: 4-[(2,6-ditert-butyl-4-pyridyl)carbamoyl]-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)NC(=O)C2=CC(=C(C=C2)C(=O)O)F

Isomeric SMILES

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

InChI

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