O1-tert-butyl O2-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (2S)-pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (2S)-pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (2S)-pyrrolidine-1,2-dicarboxylate CAS Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: 1-O-tert-butyl 2-O-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (2S)-pyrrolidine-1,2-dicarboxylate Traditional Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O5/c1-21(2,3)29-20(27)23-12-7-10-17(23)19(26)28-14-18(25)24-13-11-16(22-24)15-8-5-4-6-9-15/h4-6,8-9,17H,7,10-14H2,1-3H3/t17-/m0/s1