(phenylmethyl) 2-(heptanoylamino)-3-oxidanyl-butanoate

Systemtic Name: (phenylmethyl) 2-(heptanoylamino)-3-oxidanyl-butanoate Openeye Name: benzyl 2-(heptanoylamino)-3-hydroxy-butanoate CAS Name: 3-hydroxy-2-(1-oxoheptylamino)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(heptanoylamino)-3-hydroxybutanoate Traditional Name: 2-(enanthylamino)-3-hydroxy-butyric acid benzyl ester Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO4/c1-3-4-5-9-12-16(21)19-17(14(2)20)18(22)23-13-15-10-7-6-8-11-15/h6-8,10-11,14,17,20H,3-5,9,12-13H2,1-2H3,(H,19,21)