3-[3-(4-chlorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[3-(4-chlorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazol-1-yl]benzoic acid Openeye Name: 3-[5-(tert-butoxycarbonylamino)-3-(4-chlorophenyl)pyrazol-1-yl]benzoic acid CAS Name: 3-[3-(4-chlorophenyl)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrazolyl]benzoic acid IUPAC Name: 3-[3-(4-chlorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazol-1-yl]benzoic acid Traditional Name: 3-[5-(tert-butoxycarbonylamino)-3-(4-chlorophenyl)pyrazol-1-yl]benzoic acid Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC(=NN1C2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC(=NN1C2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN3O4/c1-21(2,3)29-20(28)23-18-12-17(13-7-9-15(22)10-8-13)24-25(18)16-6-4-5-14(11-16)19(26)27/h4-12H,1-3H3,(H,23,28)(H,26,27)