propyl (2S)-1-(3,3-dimethyl-2-oxidanylidene-butanoyl)-3-phenyl-pyrrolidine-2-carboxylate

Systemtic Name: propyl (2S)-1-(3,3-dimethyl-2-oxidanylidene-butanoyl)-3-phenyl-pyrrolidine-2-carboxylate Openeye Name: propyl (2S)-1-(3,3-dimethyl-2-oxo-butanoyl)-3-phenyl-pyrrolidine-2-carboxylate CAS Name: (2S)-1-(3,3-dimethyl-1,2-dioxobutyl)-3-phenyl-2-pyrrolidinecarboxylic acid propyl ester IUPAC Name: propyl (2S)-1-(3,3-dimethyl-2-oxobutanoyl)-3-phenylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-keto-3,3-dimethyl-butanoyl)-3-phenyl-pyrrolidine-2-carboxylic acid propyl ester Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1C(CCN1C(=O)C(=O)C(C)(C)C)C2=CC=CC=C2

Isomeric SMILES

CCCOC(=O)[C@@H]1C(CCN1C(=O)C(=O)C(C)(C)C)C2=CC=CC=C2

InChI

InChI=1S/C20H27NO4/c1-5-13-25-19(24)16-15(14-9-7-6-8-10-14)11-12-21(16)18(23)17(22)20(2,3)4/h6-10,15-16H,5,11-13H2,1-4H3/t15?,16-/m0/s1