2-(4-azanylbutyl)-4-ethyl-3-oxidanylidene-octanoic acid

Systemtic Name: 2-(4-azanylbutyl)-4-ethyl-3-oxidanylidene-octanoic acid Openeye Name: 2-(4-aminobutyl)-4-ethyl-3-oxo-octanoic acid CAS Name: 2-(4-aminobutyl)-4-ethyl-3-oxooctanoic acid IUPAC Name: 2-(4-aminobutyl)-4-ethyl-3-oxooctanoic acid Traditional Name: 2-(4-aminobutyl)-4-ethyl-3-keto-caprylic acid Formula: C14H27NO3 MolecularWeight: 257.36908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)C(CCCCN)C(=O)O

Isomeric SMILES

CCCCC(CC)C(=O)C(CCCCN)C(=O)O

InChI

InChI=1S/C14H27NO3/c1-3-5-8-11(4-2)13(16)12(14(17)18)9-6-7-10-15/h11-12H,3-10,15H2,1-2H3,(H,17,18)