[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2,4-di(propan-2-yl)benzoate

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2,4-di(propan-2-yl)benzoate Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 2,4-diisopropylbenzoate CAS Name: 2,4-di(propan-2-yl)benzoic acid [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate Traditional Name: 2,4-diisopropylbenzoic acid [2-[[(1S)-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)C1=CC(=C(C=C1)C(=O)OCC(=O)NC(C)(C#N)C(C)C)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)C(C)C

InChI

InChI=1S/C21H30N2O3/c1-13(2)16-8-9-17(18(10-16)14(3)4)20(25)26-11-19(24)23-21(7,12-22)15(5)6/h8-10,13-15H,11H2,1-7H3,(H,23,24)/t21-/m1/s1