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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C(C)OC1=CC=C(C=C1)C#N

Isomeric SMILES

C[C@H](C(=O)NCC=C)OC(=O)[C@H](C)OC1=CC=C(C=C1)C#N

InChI

InChI=1S/C16H18N2O4/c1-4-9-18-15(19)11(2)22-16(20)12(3)21-14-7-5-13(10-17)6-8-14/h4-8,11-12H,1,9H2,2-3H3,(H,18,19)/t11-,12+/m1/s1