2-[(2-methylpropan-2-yl)oxycarbonyl]-5-[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]pyrazole-3-carboxylate

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]-5-[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]pyrazole-3-carboxylate Openeye Name: 5-[(2S)-1-benzyloxycarbonylpyrrolidin-2-yl]-2-tert-butoxycarbonyl-pyrazole-3-carboxylate CAS Name: 2-[(2-methylpropan-2-yl)oxy-oxomethyl]-5-[(2S)-1-phenylmethoxycarbonyl-2-pyrrolidinyl]-3-pyrazolecarboxylate IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]-5-[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]pyrazole-3-carboxylate Traditional Name: 2-tert-butoxycarbonyl-5-[(2S)-1-carbobenzoxypyrrolidin-2-yl]pyrazole-3-carboxylate Formula: C21H24N3O6- MolecularWeight: 414.43176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=CC(=N1)C2CCCN2C(=O)OCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=CC(=N1)[C@@H]2CCCN2C(=O)OCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H25N3O6/c1-21(2,3)30-20(28)24-17(18(25)26)12-15(22-24)16-10-7-11-23(16)19(27)29-13-14-8-5-4-6-9-14/h4-6,8-9,12,16H,7,10-11,13H2,1-3H3,(H,25,26)/p-1/t16-/m0/s1