ethyl 5-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: ethyl 5-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoylamino]-2-morpholin-4-yl-benzoate Openeye Name: ethyl 5-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]amino]-2-morpholino-benzoate CAS Name: 5-[[2-(2-bromo-4,6-dimethylphenoxy)-1-oxoethyl]amino]-2-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 5-[[2-(2-bromo-4,6-dimethylphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]amino]-2-morpholino-benzoic acid ethyl ester Formula: C23H27BrN2O5 MolecularWeight: 491.37488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=O)COC2=C(C=C(C=C2Br)C)C)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=O)COC2=C(C=C(C=C2Br)C)C)N3CCOCC3

InChI

InChI=1S/C23H27BrN2O5/c1-4-30-23(28)18-13-17(5-6-20(18)26-7-9-29-10-8-26)25-21(27)14-31-22-16(3)11-15(2)12-19(22)24/h5-6,11-13H,4,7-10,14H2,1-3H3,(H,25,27)