[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 4-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoate CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)methoxy]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] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate Traditional Name: 4-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoic acid [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)OCC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)OCC(=O)N[C@](C)(C#N)C(C)C

InChI

InChI=1S/C21H25N3O5/c1-13(2)21(5,12-22)23-19(25)11-28-20(26)16-6-8-17(9-7-16)27-10-18-14(3)24-29-15(18)4/h6-9,13H,10-11H2,1-5H3,(H,23,25)/t21-/m1/s1