4-oxidanylidene-3-(prop-2-enoxycarbonylamino)octanoic acid

Systemtic Name: 4-oxidanylidene-3-(prop-2-enoxycarbonylamino)octanoic acid Openeye Name: 3-(allyloxycarbonylamino)-4-oxo-octanoic acid CAS Name: 4-oxo-3-[[oxo(prop-2-enoxy)methyl]amino]octanoic acid IUPAC Name: 4-oxo-3-(prop-2-enoxycarbonylamino)octanoic acid Traditional Name: 3-(allyloxycarbonylamino)-4-keto-caprylic acid Formula: C12H19NO5 MolecularWeight: 257.28296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C(CC(=O)O)NC(=O)OCC=C

Isomeric SMILES

CCCCC(=O)C(CC(=O)O)NC(=O)OCC=C

InChI

InChI=1S/C12H19NO5/c1-3-5-6-10(14)9(8-11(15)16)13-12(17)18-7-4-2/h4,9H,2-3,5-8H2,1H3,(H,13,17)(H,15,16)