methyl 2-(2-ethylhexanoylamino)-3-oxidanyl-propanoate

Systemtic Name: methyl 2-(2-ethylhexanoylamino)-3-oxidanyl-propanoate Openeye Name: methyl 2-(2-ethylhexanoylamino)-3-hydroxy-propanoate CAS Name: 2-[(2-ethyl-1-oxohexyl)amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-(2-ethylhexanoylamino)-3-hydroxypropanoate Traditional Name: 2-(2-ethylhexanoylamino)-3-hydroxy-propionic acid methyl ester Formula: C12H23NO4 MolecularWeight: 245.31532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC(CO)C(=O)OC

Isomeric SMILES

CCCCC(CC)C(=O)NC(CO)C(=O)OC

InChI

InChI=1S/C12H23NO4/c1-4-6-7-9(5-2)11(15)13-10(8-14)12(16)17-3/h9-10,14H,4-8H2,1-3H3,(H,13,15)