[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-phenylpropanoate

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-phenylpropanoate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)COC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C17H22N2O3/c1-13(2)17(3,12-18)19-15(20)11-22-16(21)10-9-14-7-5-4-6-8-14/h4-8,13H,9-11H2,1-3H3,(H,19,20)/t17-/m0/s1