2-[(4R,5S)-4-acetyloxy-3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid

Systemtic Name: 2-[(4R,5S)-4-acetyloxy-3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[(4R,5S)-4-acetoxy-3-(4-cyanophenyl)-4,5-dihydroisoxazol-5-yl]acetic acid CAS Name: 2-[(4R,5S)-4-acetyloxy-3-(4-cyanophenyl)-4,5-dihydroisoxazol-5-yl]acetic acid IUPAC Name: 2-[(4R,5S)-4-acetyloxy-3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[(4R,5S)-4-acetoxy-3-(4-cyanophenyl)-2-isoxazolin-5-yl]acetic acid Formula: C14H12N2O5 MolecularWeight: 288.25548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(ON=C1C2=CC=C(C=C2)C#N)CC(=O)O

Isomeric SMILES

CC(=O)O[C@H]1[C@@H](ON=C1C2=CC=C(C=C2)C#N)CC(=O)O

InChI

InChI=1S/C14H12N2O5/c1-8(17)20-14-11(6-12(18)19)21-16-13(14)10-4-2-9(7-15)3-5-10/h2-5,11,14H,6H2,1H3,(H,18,19)/t11-,14-/m0/s1