[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-ethylbenzoate

Systemtic Name: [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-ethylbenzoate Openeye Name: [(1R)-1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [(2R)-1-[(5-methyl-3-isoxazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [(1R)-2-keto-1-methyl-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester Formula: C16H18N2O4 MolecularWeight: 302.32512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=NOC(=C2)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=NOC(=C2)C

InChI

InChI=1S/C16H18N2O4/c1-4-12-5-7-13(8-6-12)16(20)21-11(3)15(19)17-14-9-10(2)22-18-14/h5-9,11H,4H2,1-3H3,(H,17,18,19)/t11-/m1/s1