2-[(3-oxidanylidene-2-pentanoyl-cyclohexen-1-yl)amino]ethanoic acid

Systemtic Name: 2-[(3-oxidanylidene-2-pentanoyl-cyclohexen-1-yl)amino]ethanoic acid Openeye Name: 2-[(3-oxo-2-pentanoyl-cyclohexen-1-yl)amino]acetic acid CAS Name: 2-[[3-oxo-2-(1-oxopentyl)-1-cyclohexenyl]amino]acetic acid IUPAC Name: 2-[(3-oxo-2-pentanoylcyclohexen-1-yl)amino]acetic acid Traditional Name: 2-[(3-keto-2-valeryl-cyclohexen-1-yl)amino]acetic acid Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(CCCC1=O)NCC(=O)O

Isomeric SMILES

CCCCC(=O)C1=C(CCCC1=O)NCC(=O)O

InChI

InChI=1S/C13H19NO4/c1-2-3-6-10(15)13-9(14-8-12(17)18)5-4-7-11(13)16/h14H,2-8H2,1H3,(H,17,18)