[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C(C)OC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@H](C(=O)NC1CC1)OC(=O)[C@H](C)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H18N2O4/c1-10(15(19)18-13-5-6-13)22-16(20)11(2)21-14-7-3-12(9-17)4-8-14/h3-4,7-8,10-11,13H,5-6H2,1-2H3,(H,18,19)/t10-,11+/m1/s1