propyl (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3-pyridin-2-yl-pyrrolidine-2-carboxylate

Systemtic Name: propyl (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3-pyridin-2-yl-pyrrolidine-2-carboxylate Openeye Name: propyl (2S)-1-(3,3-dimethyl-2-oxo-pentanoyl)-3-(2-pyridyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-3-(2-pyridinyl)-2-pyrrolidinecarboxylic acid propyl ester IUPAC Name: propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-3-pyridin-2-ylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-keto-3,3-dimethyl-pentanoyl)-3-(2-pyridyl)pyrrolidine-2-carboxylic acid propyl ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1C(CCN1C(=O)C(=O)C(C)(C)CC)C2=CC=CC=N2

Isomeric SMILES

CCCOC(=O)[C@@H]1C(CCN1C(=O)C(=O)C(C)(C)CC)C2=CC=CC=N2

InChI

InChI=1S/C20H28N2O4/c1-5-13-26-19(25)16-14(15-9-7-8-11-21-15)10-12-22(16)18(24)17(23)20(3,4)6-2/h7-9,11,14,16H,5-6,10,12-13H2,1-4H3/t14?,16-/m0/s1