1-(4-chlorophenyl)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-chlorophenyl)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid Openeye Name: 5-(1-tert-butoxycarbonyl-4-piperidyl)-1-(4-chlorophenyl)pyrazole-4-carboxylic acid CAS Name: 1-(4-chlorophenyl)-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-chlorophenyl)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid Traditional Name: 5-(1-tert-butoxycarbonyl-4-piperidyl)-1-(4-chlorophenyl)pyrazole-4-carboxylic acid Formula: C20H24ClN3O4 MolecularWeight: 405.87526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C20H24ClN3O4/c1-20(2,3)28-19(27)23-10-8-13(9-11-23)17-16(18(25)26)12-22-24(17)15-6-4-14(21)5-7-15/h4-7,12-13H,8-11H2,1-3H3,(H,25,26)