[(2S)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [(1S)-2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid [(2S)-1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [(1S)-2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C(C)OC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)[C@H](C)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H21N3O5/c1-14(19(25)24-21(27)23-13-17-6-4-3-5-7-17)29-20(26)15(2)28-18-10-8-16(12-22)9-11-18/h3-11,14-15H,13H2,1-2H3,(H2,23,24,25,27)/t14-,15-/m0/s1