2-[1-heptan-2-yl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[1-heptan-2-yl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[1-(1-methylhexyl)-2,5-dioxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-(1-heptan-2-yl-2,5-dioxo-3-pyrrolidinyl)acetic acid IUPAC Name: 2-(1-heptan-2-yl-2,5-dioxopyrrolidin-3-yl)acetic acid Traditional Name: 2-[2,5-diketo-1-(1-methylhexyl)pyrrolidin-3-yl]acetic acid Formula: C13H21NO4 MolecularWeight: 255.31014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)N1C(=O)CC(C1=O)CC(=O)O

Isomeric SMILES

CCCCCC(C)N1C(=O)CC(C1=O)CC(=O)O

InChI

InChI=1S/C13H21NO4/c1-3-4-5-6-9(2)14-11(15)7-10(13(14)18)8-12(16)17/h9-10H,3-8H2,1-2H3,(H,16,17)