[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(4-tert-butylphenoxy)propanoate

Systemtic Name: [(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(4-tert-butylphenoxy)propanoate Openeye Name: [(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] (2S)-2-(4-tert-butylphenoxy)propanoate CAS Name: (2S)-2-(4-tert-butylphenoxy)propanoic acid [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] (2S)-2-(4-tert-butylphenoxy)propanoate Traditional Name: (2S)-2-(4-tert-butylphenoxy)propionic acid [(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C(C)OC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)OC(=O)[C@H](C)OC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C23H26N2O4/c1-15(21(26)25-20-9-7-6-8-17(20)14-24)29-22(27)16(2)28-19-12-10-18(11-13-19)23(3,4)5/h6-13,15-16H,1-5H3,(H,25,26)/t15-,16+/m1/s1