methyl 2-(octanoylamino)-3-oxidanyl-butanoate

Systemtic Name: methyl 2-(octanoylamino)-3-oxidanyl-butanoate Openeye Name: methyl 3-hydroxy-2-(octanoylamino)butanoate CAS Name: 3-hydroxy-2-(1-oxooctylamino)butanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-(octanoylamino)butanoate Traditional Name: 2-(caprylylamino)-3-hydroxy-butyric acid methyl ester Formula: C13H25NO4 MolecularWeight: 259.3419

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(C(C)O)C(=O)OC

Isomeric SMILES

CCCCCCCC(=O)NC(C(C)O)C(=O)OC

InChI

InChI=1S/C13H25NO4/c1-4-5-6-7-8-9-11(16)14-12(10(2)15)13(17)18-3/h10,12,15H,4-9H2,1-3H3,(H,14,16)