phenacyl 2-azanyl-3-oxidanylidene-pentanoate

Systemtic Name: phenacyl 2-azanyl-3-oxidanylidene-pentanoate Openeye Name: phenacyl 2-amino-3-oxo-pentanoate CAS Name: 2-amino-3-oxopentanoic acid phenacyl ester IUPAC Name: phenacyl 2-amino-3-oxopentanoate Traditional Name: 2-amino-3-keto-valeric acid phenacyl ester Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(=O)OCC(=O)C1=CC=CC=C1)N

Isomeric SMILES

CCC(=O)C(C(=O)OCC(=O)C1=CC=CC=C1)N

InChI

InChI=1S/C13H15NO4/c1-2-10(15)12(14)13(17)18-8-11(16)9-6-4-3-5-7-9/h3-7,12H,2,8,14H2,1H3