[(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate Openeye Name: [(1S)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl] 3-(1,3-benzoxazol-2-yl)propanoate CAS Name: 3-(1,3-benzoxazol-2-yl)propanoic acid [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate Traditional Name: 3-(1,3-benzoxazol-2-yl)propionic acid [(1S)-2-cumidino-2-keto-1-methyl-ethyl] ester Formula: C22H24N2O4 MolecularWeight: 380.43696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCC2=NC3=CC=CC=C3O2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)OC(=O)CCC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C22H24N2O4/c1-14(2)16-8-10-17(11-9-16)23-22(26)15(3)27-21(25)13-12-20-24-18-6-4-5-7-19(18)28-20/h4-11,14-15H,12-13H2,1-3H3,(H,23,26)/t15-/m0/s1