propyl (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3-pyridin-4-yl-pyrrolidine-2-carboxylate

Systemtic Name: propyl (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3-pyridin-4-yl-pyrrolidine-2-carboxylate Openeye Name: propyl (2S)-1-(3,3-dimethyl-2-oxo-pentanoyl)-3-(4-pyridyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-3-pyridin-4-yl-2-pyrrolidinecarboxylic acid propyl ester IUPAC Name: propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-3-pyridin-4-ylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-keto-3,3-dimethyl-pentanoyl)-3-(4-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=NC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O4/c1-5-13-26-19(25)16-15(14-7-10-21-11-8-14)9-12-22(16)18(24)17(23)20(3,4)6-2/h7-8,10-11,15-16H,5-6,9,12-13H2,1-4H3/t15?,16-/m0/s1