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

Systemtic Name: 4-[(4,6-ditert-butylpyrimidin-2-yl)carbamoyl]benzoic acid Openeye Name: 4-[(4,6-ditert-butylpyrimidin-2-yl)carbamoyl]benzoic acid CAS Name: 4-[[(4,6-ditert-butyl-2-pyrimidinyl)amino]-oxomethyl]benzoic acid IUPAC Name: 4-[(4,6-ditert-butylpyrimidin-2-yl)carbamoyl]benzoic acid Traditional Name: 4-[(4,6-ditert-butylpyrimidin-2-yl)carbamoyl]benzoic acid Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3/c1-19(2,3)14-11-15(20(4,5)6)22-18(21-14)23-16(24)12-7-9-13(10-8-12)17(25)26/h7-11H,1-6H3,(H,25,26)(H,21,22,23,24)