[(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(phenethylamino)ethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-2-propenoic acid [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)acrylic acid [(1R)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C=CC2=NC3=CC=CC=C3O2

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CC=C1)OC(=O)/C=C/C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C21H20N2O4/c1-15(21(25)22-14-13-16-7-3-2-4-8-16)26-20(24)12-11-19-23-17-9-5-6-10-18(17)27-19/h2-12,15H,13-14H2,1H3,(H,22,25)/b12-11+/t15-/m1/s1