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

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

Isomeric SMILES

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

InChI

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