[(1R)-1-cyanoethyl] (2S)-2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [(1R)-1-cyanoethyl] (2S)-2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [(1R)-1-cyanoethyl] (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butyric acid [(1R)-1-cyanoethyl] ester Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5/c1-10(2)15(17(21)24-11(3)9-18)19-16(20)12-6-13(22-4)8-14(7-12)23-5/h6-8,10-11,15H,1-5H3,(H,19,20)/t11-,15+/m1/s1