[[(2R,3R)-2-methyl-4-oxidanylidene-oxetan-3-yl]amino] 2-phenylethanoate

Systemtic Name: [[(2R,3R)-2-methyl-4-oxidanylidene-oxetan-3-yl]amino] 2-phenylethanoate Openeye Name: [[(2R,3R)-2-methyl-4-oxo-oxetan-3-yl]amino] 2-phenylacetate CAS Name: 2-phenylacetic acid [[(2R,3R)-2-methyl-4-oxo-3-oxetanyl]amino] ester IUPAC Name: [[(2R,3R)-2-methyl-4-oxooxetan-3-yl]amino] 2-phenylacetate Traditional Name: 2-phenylacetic acid [[(3R,4R)-2-keto-4-methyl-oxetan-3-yl]amino] ester Formula: C12H13NO4 MolecularWeight: 235.23592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)O1)NOC(=O)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H]1[C@H](C(=O)O1)NOC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C12H13NO4/c1-8-11(12(15)16-8)13-17-10(14)7-9-5-3-2-4-6-9/h2-6,8,11,13H,7H2,1H3/t8-,11-/m1/s1