3-pyridin-2-ylpropyl (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-2-methyl-pyrrolidine-2-carboxylate

Systemtic Name: 3-pyridin-2-ylpropyl (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-2-methyl-pyrrolidine-2-carboxylate Openeye Name: 3-(2-pyridyl)propyl (2S)-1-(3,3-dimethyl-2-oxo-pentanoyl)-2-methyl-pyrrolidine-2-carboxylate CAS Name: (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-methyl-2-pyrrolidinecarboxylic acid 3-(2-pyridinyl)propyl ester IUPAC Name: 3-pyridin-2-ylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-2-methylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-keto-3,3-dimethyl-pentanoyl)-2-methyl-pyrrolidine-2-carboxylic acid 3-(2-pyridyl)propyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1(C)C(=O)OCCCC2=CC=CC=N2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCC[C@@]1(C)C(=O)OCCCC2=CC=CC=N2

InChI

InChI=1S/C21H30N2O4/c1-5-20(2,3)17(24)18(25)23-14-9-12-21(23,4)19(26)27-15-8-11-16-10-6-7-13-22-16/h6-7,10,13H,5,8-9,11-12,14-15H2,1-4H3/t21-/m0/s1