[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(methoxymethyl)benzoate

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(methoxymethyl)benzoate Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 3-(methoxymethyl)benzoate CAS Name: 3-(methoxymethyl)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] 3-(methoxymethyl)benzoate Traditional Name: 3-(methoxymethyl)benzoic acid [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c1-12(2)17(3,11-18)19-15(20)10-23-16(21)14-7-5-6-13(8-14)9-22-4/h5-8,12H,9-10H2,1-4H3,(H,19,20)/t17-/m1/s1