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

Systemtic Name: 4-[(2,6-ditert-butylpyridin-4-yl)carbonylamino]benzoic acid Openeye Name: 4-[(2,6-ditert-butylpyridine-4-carbonyl)amino]benzoic acid CAS Name: 4-[[(2,6-ditert-butyl-4-pyridinyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(2,6-ditert-butylpyridine-4-carbonyl)amino]benzoic acid Traditional Name: 4-[(2,6-ditert-butylisonicotinoyl)amino]benzoic acid Formula: C21H26N2O3 MolecularWeight: 354.44274

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-20(2,3)16-11-14(12-17(23-16)21(4,5)6)18(24)22-15-9-7-13(8-10-15)19(25)26/h7-12H,1-6H3,(H,22,24)(H,25,26)