2-(2-oxidanylidene-3-pentan-2-yl-azepan-1-yl)ethanoic acid

Systemtic Name: 2-(2-oxidanylidene-3-pentan-2-yl-azepan-1-yl)ethanoic acid Openeye Name: 2-[3-(1-methylbutyl)-2-oxo-azepan-1-yl]acetic acid CAS Name: 2-(2-oxo-3-pentan-2-yl-1-azepanyl)acetic acid IUPAC Name: 2-(2-oxo-3-pentan-2-ylazepan-1-yl)acetic acid Traditional Name: 2-[2-keto-3-(1-methylbutyl)azepan-1-yl]acetic acid Formula: C13H23NO3 MolecularWeight: 241.32662

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1CCCCN(C1=O)CC(=O)O

Isomeric SMILES

CCCC(C)C1CCCCN(C1=O)CC(=O)O

InChI

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