1-ethanoyl-4-methyl-azepane-4-carboxylic acid

Systemtic Name: 1-ethanoyl-4-methyl-azepane-4-carboxylic acid Openeye Name: 1-acetyl-4-methyl-azepane-4-carboxylic acid CAS Name: 1-acetyl-4-methyl-4-azepanecarboxylic acid IUPAC Name: 1-acetyl-4-methylazepane-4-carboxylic acid Traditional Name: 1-acetyl-4-methyl-azepane-4-carboxylic acid Formula: C10H17NO3 MolecularWeight: 199.24688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC(CC1)(C)C(=O)O

Isomeric SMILES

CC(=O)N1CCCC(CC1)(C)C(=O)O

InChI

InChI=1S/C10H17NO3/c1-8(12)11-6-3-4-10(2,5-7-11)9(13)14/h3-7H2,1-2H3,(H,13,14)