5-(azepan-1-yl)-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(azepan-1-yl)-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(azepan-1-yl)-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-(1-azepanyl)-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-(azepan-1-yl)-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-(azepan-1-yl)-5-keto-3,3-dimethyl-valeric acid Formula: C13H23NO3 MolecularWeight: 241.32662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N1CCCCCC1)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)N1CCCCCC1)CC(=O)O

InChI

InChI=1S/C13H23NO3/c1-13(2,10-12(16)17)9-11(15)14-7-5-3-4-6-8-14/h3-10H2,1-2H3,(H,16,17)