1-(3-chloranyl-2-methyl-phenyl)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid Openeye Name: 5-(1-tert-butoxycarbonyl-4-piperidyl)-1-(3-chloro-2-methyl-phenyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-2-methylphenyl)-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-2-methylphenyl)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid Traditional Name: 5-(1-tert-butoxycarbonyl-4-piperidyl)-1-(3-chloro-2-methyl-phenyl)pyrazole-4-carboxylic acid Formula: C21H26ClN3O4 MolecularWeight: 419.90184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=C(C=N2)C(=O)O)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=C(C=N2)C(=O)O)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H26ClN3O4/c1-13-16(22)6-5-7-17(13)25-18(15(12-23-25)19(26)27)14-8-10-24(11-9-14)20(28)29-21(2,3)4/h5-7,12,14H,8-11H2,1-4H3,(H,26,27)