(3R)-1-[4-(3,5-ditert-butylpyrazol-1-yl)phenyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3R)-1-[4-(3,5-ditert-butylpyrazol-1-yl)phenyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[4-(3,5-ditert-butylpyrazol-1-yl)phenyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[4-(3,5-ditert-butyl-1-pyrazolyl)phenyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[4-(3,5-ditert-butylpyrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-[4-(3,5-ditert-butylpyrazol-1-yl)phenyl]-5-keto-pyrrolidine-3-carboxylate Formula: C22H28N3O3- MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN1C2=CC=C(C=C2)N3CC(CC3=O)C(=O)[O-])C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=NN1C2=CC=C(C=C2)N3C[C@@H](CC3=O)C(=O)[O-])C(C)(C)C

InChI

InChI=1S/C22H29N3O3/c1-21(2,3)17-12-18(22(4,5)6)25(23-17)16-9-7-15(8-10-16)24-13-14(20(27)28)11-19(24)26/h7-10,12,14H,11,13H2,1-6H3,(H,27,28)/p-1/t14-/m1/s1