[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(4-tert-butylphenyl)propanoate

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(4-tert-butylphenyl)propanoate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 3-(4-tert-butylphenyl)propanoate CAS Name: 3-(4-tert-butylphenyl)propanoic 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-(4-tert-butylphenyl)propanoate Traditional Name: 3-(4-tert-butylphenyl)propionic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3/c1-15(2)21(6,14-22)23-18(24)13-26-19(25)12-9-16-7-10-17(11-8-16)20(3,4)5/h7-8,10-11,15H,9,12-13H2,1-6H3,(H,23,24)/t21-/m0/s1