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

Systemtic Name: 2-(3-butan-2-yl-2-oxidanylidene-azepan-1-yl)ethanoic acid Openeye Name: 2-(2-oxo-3-sec-butyl-azepan-1-yl)acetic acid CAS Name: 2-(3-butan-2-yl-2-oxo-1-azepanyl)acetic acid IUPAC Name: 2-(3-butan-2-yl-2-oxoazepan-1-yl)acetic acid Traditional Name: 2-(2-keto-3-sec-butyl-azepan-1-yl)acetic acid Formula: C12H21NO3 MolecularWeight: 227.30004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO3/c1-3-9(2)10-6-4-5-7-13(12(10)16)8-11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15)