[(2S)-1-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl] 4-(2-ethoxyphenoxy)butanoate

Systemtic Name: [(2S)-1-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl] 4-(2-ethoxyphenoxy)butanoate Openeye Name: [(1S)-2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-1-methyl-2-oxo-ethyl] 4-(2-ethoxyphenoxy)butanoate CAS Name: 4-(2-ethoxyphenoxy)butanoic acid [(2S)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 4-(2-ethoxyphenoxy)butanoate Traditional Name: 4-(2-ethoxyphenoxy)butyric acid [(1S)-2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-1-methyl-ethyl] ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCCC(=O)OC(C)C(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CCOC1=CC=CC=C1OCCCC(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C

InChI

InChI=1S/C21H30N2O5/c1-6-26-17-10-7-8-11-18(17)27-13-9-12-19(24)28-16(4)20(25)23-21(5,14-22)15(2)3/h7-8,10-11,15-16H,6,9,12-13H2,1-5H3,(H,23,25)/t16-,21-/m0/s1