(phenylmethyl) 2-(5-oxidanylidenehexanoylamino)propanoate

Systemtic Name: (phenylmethyl) 2-(5-oxidanylidenehexanoylamino)propanoate Openeye Name: benzyl 2-(5-oxohexanoylamino)propanoate CAS Name: 2-(1,5-dioxohexylamino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(5-oxohexanoylamino)propanoate Traditional Name: 2-(5-ketohexanoylamino)propionic acid benzyl ester Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)NC(=O)CCCC(=O)C

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)NC(=O)CCCC(=O)C

InChI

InChI=1S/C16H21NO4/c1-12(18)7-6-10-15(19)17-13(2)16(20)21-11-14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-11H2,1-2H3,(H,17,19)