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

Systemtic Name: 3-pyridin-4-ylpropyl (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carboxylate Openeye Name: 3-(4-pyridyl)propyl (2S)-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylic acid 3-pyridin-4-ylpropyl ester IUPAC Name: 3-pyridin-4-ylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidine-2-carboxylic acid 3-(4-pyridyl)propyl ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCC2=CC=NC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCC2=CC=NC=C2

InChI

InChI=1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)22-13-5-8-16(22)19(25)26-14-6-7-15-9-11-21-12-10-15/h9-12,16H,4-8,13-14H2,1-3H3/t16-/m0/s1