2-(3-heptan-2-yl-2-oxidanylidene-pyrrolidin-1-yl)ethanoic acid

Systemtic Name: 2-(3-heptan-2-yl-2-oxidanylidene-pyrrolidin-1-yl)ethanoic acid Openeye Name: 2-[3-(1-methylhexyl)-2-oxo-pyrrolidin-1-yl]acetic acid CAS Name: 2-(3-heptan-2-yl-2-oxo-1-pyrrolidinyl)acetic acid IUPAC Name: 2-(3-heptan-2-yl-2-oxopyrrolidin-1-yl)acetic acid Traditional Name: 2-[2-keto-3-(1-methylhexyl)pyrrolidino]acetic acid Formula: C13H23NO3 MolecularWeight: 241.32662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1CCN(C1=O)CC(=O)O

Isomeric SMILES

CCCCCC(C)C1CCN(C1=O)CC(=O)O

InChI

InChI=1S/C13H23NO3/c1-3-4-5-6-10(2)11-7-8-14(13(11)17)9-12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16)