6-(azepan-1-yl)-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-(azepan-1-yl)-6-oxidanylidene-hexanoic acid Openeye Name: 6-(azepan-1-yl)-6-oxo-hexanoic acid CAS Name: 6-(1-azepanyl)-6-oxohexanoic acid IUPAC Name: 6-(azepan-1-yl)-6-oxohexanoic acid Traditional Name: 6-(azepan-1-yl)-6-keto-hexanoic acid Formula: C12H21NO3 MolecularWeight: 227.30004

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCCCC(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)CCCCC(=O)O

InChI

InChI=1S/C12H21NO3/c14-11(7-3-4-8-12(15)16)13-9-5-1-2-6-10-13/h1-10H2,(H,15,16)