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

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c1-4-5-12(2)19-16(20)11-22-17(21)13(3)23-15-8-6-14(10-18)7-9-15/h6-9,12-13H,4-5,11H2,1-3H3,(H,19,20)/t12-,13-/m0/s1