3-[3-tert-butyl-5-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[3-tert-butyl-5-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzoic acid Openeye Name: 3-[3-tert-butyl-5-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzoic acid CAS Name: 3-[3-tert-butyl-5-[[(4-chloroanilino)-oxomethyl]amino]-1-pyrazolyl]benzoic acid IUPAC Name: 3-[3-tert-butyl-5-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzoic acid Traditional Name: 3-[3-tert-butyl-5-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzoic acid Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)Cl)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)Cl)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H21ClN4O3/c1-21(2,3)17-12-18(24-20(29)23-15-9-7-14(22)8-10-15)26(25-17)16-6-4-5-13(11-16)19(27)28/h4-12H,1-3H3,(H,27,28)(H2,23,24,29)