ethyl 2-[methyl-(2-methyl-3-oxidanylidene-pentyl)amino]ethanoate hydrate

Systemtic Name: ethyl 2-[methyl-(2-methyl-3-oxidanylidene-pentyl)amino]ethanoate hydrate Openeye Name: ethyl 2-[methyl-(2-methyl-3-oxo-pentyl)amino]acetate hydrate CAS Name: 2-[methyl-(2-methyl-3-oxopentyl)amino]acetic acid ethyl ester hydrate IUPAC Name: ethyl 2-[methyl-(2-methyl-3-oxopentyl)amino]acetate hydrate Traditional Name: 2-[(3-keto-2-methyl-pentyl)-methyl-amino]acetic acid ethyl ester hydrate Formula: C11H23NO4 MolecularWeight: 233.30462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)CN(C)CC(=O)OCC.O

Isomeric SMILES

CCC(=O)C(C)CN(C)CC(=O)OCC.O

InChI

InChI=1S/C11H21NO3.H2O/c1-5-10(13)9(3)7-12(4)8-11(14)15-6-2;/h9H,5-8H2,1-4H3;1H2