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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)OCC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c1-5-22-16(21)13-7-6-8-14(9-13)23-10-15(20)19-17(4,11-18)12(2)3/h6-9,12H,5,10H2,1-4H3,(H,19,20)/t17-/m1/s1