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

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-[(4-methoxyphenyl)carbonylamino]benzoate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 2-[(4-methoxybenzoyl)amino]benzoate CAS Name: 2-[[(4-methoxyphenyl)-oxomethyl]amino]benzoic 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-methoxybenzoyl)amino]benzoate Traditional Name: 2-(p-anisoylamino)benzoic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C23H25N3O5/c1-15(2)23(3,14-24)26-20(27)13-31-22(29)18-7-5-6-8-19(18)25-21(28)16-9-11-17(30-4)12-10-16/h5-12,15H,13H2,1-4H3,(H,25,28)(H,26,27)/t23-/m0/s1