[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] (2S)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C(C)OC1=CC=C(C=C1)C#N

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)[C@H](C)OC1=CC=C(C=C1)C#N

InChI

InChI=1S/C16H20N2O4/c1-4-11(2)18-15(19)10-21-16(20)12(3)22-14-7-5-13(9-17)6-8-14/h5-8,11-12H,4,10H2,1-3H3,(H,18,19)/t11-,12-/m0/s1