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

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-[(4-phenoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 2-[(4-phenoxybenzoyl)amino]acetate CAS Name: 2-[[oxo-(4-phenoxyphenyl)methyl]amino]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-phenoxybenzoyl)amino]acetate Traditional Name: 2-[(4-phenoxybenzoyl)amino]acetic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C23H25N3O5 MolecularWeight: 423.4617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)CNC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)COC(=O)CNC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C23H25N3O5/c1-16(2)23(3,15-24)26-20(27)14-30-21(28)13-25-22(29)17-9-11-19(12-10-17)31-18-7-5-4-6-8-18/h4-12,16H,13-14H2,1-3H3,(H,25,29)(H,26,27)/t23-/m0/s1