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

Systemtic Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-bromanylphenoxy)butanoate Openeye Name: [1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid [1-[(5-methyl-3-isoxazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid [2-keto-1-methyl-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester Formula: C17H19BrN2O5 MolecularWeight: 411.24716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)OC(=O)CCCOC2=CC(=CC=C2)Br

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)OC(=O)CCCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C17H19BrN2O5/c1-11-9-15(20-25-11)19-17(22)12(2)24-16(21)7-4-8-23-14-6-3-5-13(18)10-14/h3,5-6,9-10,12H,4,7-8H2,1-2H3,(H,19,20,22)