3-[(3-oxidanylidene-2-propanoyl-cyclohexen-1-yl)amino]propanoic acid

Systemtic Name: 3-[(3-oxidanylidene-2-propanoyl-cyclohexen-1-yl)amino]propanoic acid Openeye Name: 3-[(3-oxo-2-propanoyl-cyclohexen-1-yl)amino]propanoic acid CAS Name: 3-[[3-oxo-2-(1-oxopropyl)-1-cyclohexenyl]amino]propanoic acid IUPAC Name: 3-[(3-oxo-2-propanoylcyclohexen-1-yl)amino]propanoic acid Traditional Name: 3-[(3-keto-2-propionyl-cyclohexen-1-yl)amino]propionic acid Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(CCCC1=O)NCCC(=O)O

Isomeric SMILES

CCC(=O)C1=C(CCCC1=O)NCCC(=O)O

InChI

InChI=1S/C12H17NO4/c1-2-9(14)12-8(4-3-5-10(12)15)13-7-6-11(16)17/h13H,2-7H2,1H3,(H,16,17)