[(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(3-methylphenoxy)propanoate

Systemtic Name: [(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(3-methylphenoxy)propanoate Openeye Name: [(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] (2S)-2-(3-methylphenoxy)propanoate CAS Name: (2S)-2-(3-methylphenoxy)propanoic acid [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate Traditional Name: (2S)-2-(3-methylphenoxy)propionic acid [(1S)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)C(=O)OC(C)C(=O)NC2CC2

Isomeric SMILES

CC1=CC(=CC=C1)O[C@@H](C)C(=O)O[C@@H](C)C(=O)NC2CC2

InChI

InChI=1S/C16H21NO4/c1-10-5-4-6-14(9-10)20-12(3)16(19)21-11(2)15(18)17-13-7-8-13/h4-6,9,11-13H,7-8H2,1-3H3,(H,17,18)/t11-,12-/m0/s1