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

Systemtic Name: 1-(2,4-dimethylphenyl)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid Openeye Name: 5-(1-tert-butoxycarbonyl-4-piperidyl)-1-(2,4-dimethylphenyl)pyrazole-4-carboxylic acid CAS Name: 1-(2,4-dimethylphenyl)-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-(2,4-dimethylphenyl)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid Traditional Name: 5-(1-tert-butoxycarbonyl-4-piperidyl)-1-(2,4-dimethylphenyl)pyrazole-4-carboxylic acid Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=C(C=N2)C(=O)O)C3CCN(CC3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=C(C=N2)C(=O)O)C3CCN(CC3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C22H29N3O4/c1-14-6-7-18(15(2)12-14)25-19(17(13-23-25)20(26)27)16-8-10-24(11-9-16)21(28)29-22(3,4)5/h6-7,12-13,16H,8-11H2,1-5H3,(H,26,27)