[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(4-phenylazanylphenoxy)ethanoate

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(4-phenylazanylphenoxy)ethanoate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 2-(4-anilinophenoxy)acetate CAS Name: 2-(4-anilinophenoxy)acetic acid [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-anilinophenoxy)acetate Traditional Name: 2-(4-anilinophenoxy)acetic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)COC1=CC=C(C=C1)NC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)COC(=O)COC1=CC=C(C=C1)NC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O4/c1-16(2)22(3,15-23)25-20(26)13-29-21(27)14-28-19-11-9-18(10-12-19)24-17-7-5-4-6-8-17/h4-12,16,24H,13-14H2,1-3H3,(H,25,26)/t22-/m0/s1