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

Systemtic Name: [(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(1,3-benzoxazol-2-yl)propanoate Openeye Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3-(1,3-benzoxazol-2-yl)propanoate CAS Name: 3-(1,3-benzoxazol-2-yl)propanoic acid [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(1,3-benzoxazol-2-yl)propanoate Traditional Name: 3-(1,3-benzoxazol-2-yl)propionic acid [(1S)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)CCC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CC1NC(=O)[C@H](C2=CC=CC=C2)OC(=O)CCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H20N2O4/c24-19(13-12-18-23-16-8-4-5-9-17(16)26-18)27-20(14-6-2-1-3-7-14)21(25)22-15-10-11-15/h1-9,15,20H,10-13H2,(H,22,25)/t20-/m0/s1