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

Systemtic Name: 1-(3-methylphenyl)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid Openeye Name: 5-(1-tert-butoxycarbonyl-4-piperidyl)-1-(m-tolyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-methylphenyl)-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-methylphenyl)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid Traditional Name: 5-(1-tert-butoxycarbonyl-4-piperidyl)-1-(m-tolyl)pyrazole-4-carboxylic acid Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4/c1-14-6-5-7-16(12-14)24-18(17(13-22-24)19(25)26)15-8-10-23(11-9-15)20(27)28-21(2,3)4/h5-7,12-13,15H,8-11H2,1-4H3,(H,25,26)