[(2S)-1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(4-phenoxyanilino)ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [(1S)-2-keto-1-methyl-2-(4-phenoxyanilino)ethyl] ester Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C25H21N3O5/c1-17(32-25(31)18-7-9-19(10-8-18)27-23(29)15-16-26)24(30)28-20-11-13-22(14-12-20)33-21-5-3-2-4-6-21/h2-14,17H,15H2,1H3,(H,27,29)(H,28,30)/t17-/m0/s1