3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-(phenylmethyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-(phenylmethyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 4-benzyl-3-(4-tert-butoxycarbonylpiperazin-1-yl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-4-(phenylmethyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 4-benzyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1H-pyrazole-5-carboxylic acid Traditional Name: 4-benzyl-3-(4-tert-butoxycarbonylpiperazino)-1H-pyrazole-5-carboxylic acid Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NNC(=C2CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NNC(=C2CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H26N4O4/c1-20(2,3)28-19(27)24-11-9-23(10-12-24)17-15(16(18(25)26)21-22-17)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,21,22)(H,25,26)