[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 4-isobutoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(2-methylpropoxy)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-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxy-3-methoxy-benzoic acid [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C)(C#N)C(C)C)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)OC

InChI

InChI=1S/C20H28N2O5/c1-13(2)10-26-16-8-7-15(9-17(16)25-6)19(24)27-11-18(23)22-20(5,12-21)14(3)4/h7-9,13-14H,10-11H2,1-6H3,(H,22,23)/t20-/m1/s1