4-[5-tert-butyl-4-(cyclohexylcarbamoyl)pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[5-tert-butyl-4-(cyclohexylcarbamoyl)pyrazol-1-yl]benzoic acid Openeye Name: 4-[5-tert-butyl-4-(cyclohexylcarbamoyl)pyrazol-1-yl]benzoic acid CAS Name: 4-[5-tert-butyl-4-[(cyclohexylamino)-oxomethyl]-1-pyrazolyl]benzoic acid IUPAC Name: 4-[5-tert-butyl-4-(cyclohexylcarbamoyl)pyrazol-1-yl]benzoic acid Traditional Name: 4-[5-tert-butyl-4-(cyclohexylcarbamoyl)pyrazol-1-yl]benzoic acid Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=NN1C2=CC=C(C=C2)C(=O)O)C(=O)NC3CCCCC3

Isomeric SMILES

CC(C)(C)C1=C(C=NN1C2=CC=C(C=C2)C(=O)O)C(=O)NC3CCCCC3

InChI

InChI=1S/C21H27N3O3/c1-21(2,3)18-17(19(25)23-15-7-5-4-6-8-15)13-22-24(18)16-11-9-14(10-12-16)20(26)27/h9-13,15H,4-8H2,1-3H3,(H,23,25)(H,26,27)