[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(1,3-benzoxazol-2-yl)propanoate

Systemtic Name: [(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(1,3-benzoxazol-2-yl)propanoate Openeye Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 3-(1,3-benzoxazol-2-yl)propanoate CAS Name: 3-(1,3-benzoxazol-2-yl)propanoic acid [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 3-(1,3-benzoxazol-2-yl)propanoate Traditional Name: 3-(1,3-benzoxazol-2-yl)propionic acid [(1S)-2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CCC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)CCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C25H22N2O4/c1-17-11-13-19(14-12-17)26-25(29)24(18-7-3-2-4-8-18)31-23(28)16-15-22-27-20-9-5-6-10-21(20)30-22/h2-14,24H,15-16H2,1H3,(H,26,29)/t24-/m0/s1