4-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-1,2-oxazol-3-yl]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-1,2-oxazol-3-yl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]isoxazol-3-yl]anilino]-4-oxo-butanoic acid CAS Name: 4-[4-[4-[[1-(2-chlorophenyl)ethoxy-oxomethyl]amino]-3-isoxazolyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-1,2-oxazol-3-yl]anilino]-4-oxobutanoic acid Traditional Name: 4-[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]isoxazol-3-yl]anilino]-4-keto-butyric acid Formula: C22H20ClN3O6 MolecularWeight: 457.8637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)OC(=O)NC2=CON=C2C3=CC=C(C=C3)NC(=O)CCC(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1Cl)OC(=O)NC2=CON=C2C3=CC=C(C=C3)NC(=O)CCC(=O)O

InChI

InChI=1S/C22H20ClN3O6/c1-13(16-4-2-3-5-17(16)23)32-22(30)25-18-12-31-26-21(18)14-6-8-15(9-7-14)24-19(27)10-11-20(28)29/h2-9,12-13H,10-11H2,1H3,(H,24,27)(H,25,30)(H,28,29)