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

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5/c1-4-11(2)19-17(23)20-15(21)10-24-16(22)12(3)25-14-7-5-13(9-18)6-8-14/h5-8,11-12H,4,10H2,1-3H3,(H2,19,20,21,23)/t11-,12-/m0/s1