1-(3,3-dimethyl-2-oxidanylidene-butanoyl)azepane-2-carboxylic acid

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-butanoyl)azepane-2-carboxylic acid Openeye Name: 1-(3,3-dimethyl-2-oxo-butanoyl)azepane-2-carboxylic acid CAS Name: 1-(3,3-dimethyl-1,2-dioxobutyl)-2-azepanecarboxylic acid IUPAC Name: 1-(3,3-dimethyl-2-oxobutanoyl)azepane-2-carboxylic acid Traditional Name: 1-(2-keto-3,3-dimethyl-butanoyl)azepane-2-carboxylic acid Formula: C13H21NO4 MolecularWeight: 255.31014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=O)N1CCCCCC1C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)C(=O)N1CCCCCC1C(=O)O

InChI

InChI=1S/C13H21NO4/c1-13(2,3)10(15)11(16)14-8-6-4-5-7-9(14)12(17)18/h9H,4-8H2,1-3H3,(H,17,18)