[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-tert-butylphenyl)propanoate

Systemtic Name: [(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-tert-butylphenyl)propanoate Openeye Name: [(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(4-tert-butylphenyl)propanoate CAS Name: 3-(4-tert-butylphenyl)propanoic acid [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-(4-tert-butylphenyl)propanoate Traditional Name: 3-(4-tert-butylphenyl)propionic acid [(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)CCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)OC(=O)CCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C23H26N2O3/c1-16(22(27)25-20-8-6-5-7-18(20)15-24)28-21(26)14-11-17-9-12-19(13-10-17)23(2,3)4/h5-10,12-13,16H,11,14H2,1-4H3,(H,25,27)/t16-/m1/s1