3,3-dimethyl-1-[(2S)-2-(4-pyridin-3-ylpent-4-enoyl)pyrrolidin-1-yl]pentane-1,2-dione

Systemtic Name: 3,3-dimethyl-1-[(2S)-2-(4-pyridin-3-ylpent-4-enoyl)pyrrolidin-1-yl]pentane-1,2-dione Openeye Name: 3,3-dimethyl-1-[(2S)-2-[4-(3-pyridyl)pent-4-enoyl]pyrrolidin-1-yl]pentane-1,2-dione CAS Name: 3,3-dimethyl-1-[(2S)-2-[1-oxo-4-(3-pyridinyl)pent-4-enyl]-1-pyrrolidinyl]pentane-1,2-dione IUPAC Name: 3,3-dimethyl-1-[(2S)-2-(4-pyridin-3-ylpent-4-enoyl)pyrrolidin-1-yl]pentane-1,2-dione Traditional Name: 3,3-dimethyl-1-[(2S)-2-[4-(3-pyridyl)pent-4-enoyl]pyrrolidino]pentane-1,2-dione Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)CCC(=C)C2=CN=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-5-21(3,4)19(25)20(26)23-13-7-9-17(23)18(24)11-10-15(2)16-8-6-12-22-14-16/h6,8,12,14,17H,2,5,7,9-11,13H2,1,3-4H3/t17-/m0/s1