3-pyridin-3-ylpropyl 1-(3-methyl-2-oxidanylidene-hexanoyl)pyrrolidine-2-carboxylate

Systemtic Name: 3-pyridin-3-ylpropyl 1-(3-methyl-2-oxidanylidene-hexanoyl)pyrrolidine-2-carboxylate Openeye Name: 3-(3-pyridyl)propyl 1-(3-methyl-2-oxo-hexanoyl)pyrrolidine-2-carboxylate CAS Name: 1-(3-methyl-1,2-dioxohexyl)-2-pyrrolidinecarboxylic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 1-(3-methyl-2-oxohexanoyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2-keto-3-methyl-hexanoyl)pyrrolidine-2-carboxylic acid 3-(3-pyridyl)propyl ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)C(=O)N1CCCC1C(=O)OCCCC2=CN=CC=C2

Isomeric SMILES

CCCC(C)C(=O)C(=O)N1CCCC1C(=O)OCCCC2=CN=CC=C2

InChI

InChI=1S/C20H28N2O4/c1-3-7-15(2)18(23)19(24)22-12-5-10-17(22)20(25)26-13-6-9-16-8-4-11-21-14-16/h4,8,11,14-15,17H,3,5-7,9-10,12-13H2,1-2H3