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

Systemtic Name: 2-[(2-butanoyl-3-oxidanylidene-cyclohexen-1-yl)amino]propanoic acid Openeye Name: 2-[(2-butanoyl-3-oxo-cyclohexen-1-yl)amino]propanoic acid CAS Name: 2-[[3-oxo-2-(1-oxobutyl)-1-cyclohexenyl]amino]propanoic acid IUPAC Name: 2-[(2-butanoyl-3-oxocyclohexen-1-yl)amino]propanoic acid Traditional Name: 2-[(2-butyryl-3-keto-cyclohexen-1-yl)amino]propionic acid Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CCCC1=O)NC(C)C(=O)O

Isomeric SMILES

CCCC(=O)C1=C(CCCC1=O)NC(C)C(=O)O

InChI

InChI=1S/C13H19NO4/c1-3-5-10(15)12-9(6-4-7-11(12)16)14-8(2)13(17)18/h8,14H,3-7H2,1-2H3,(H,17,18)