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

Systemtic Name: [(2R)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [(1R)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [(1R)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c1-11(2)10-19-16(20)12(3)23-17(21)13(4)22-15-7-5-14(9-18)6-8-15/h5-8,11-13H,10H2,1-4H3,(H,19,20)/t12-,13+/m1/s1