[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic 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-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C19H26N2O5 MolecularWeight: 362.42014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O5/c1-13(2)19(3,12-20)21-17(22)11-26-18(23)7-6-14-8-15(24-4)10-16(9-14)25-5/h8-10,13H,6-7,11H2,1-5H3,(H,21,22)/t19-/m1/s1