phenyl 4-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]-2-oxidanyl-benzoate

Systemtic Name: phenyl 4-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]-2-oxidanyl-benzoate Openeye Name: phenyl 4-[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]-2-hydroxy-benzoate CAS Name: 4-[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]amino]-2-hydroxybenzoic acid phenyl ester IUPAC Name: phenyl 4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-2-hydroxybenzoate Traditional Name: 4-[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]-2-hydroxy-benzoic acid phenyl ester Formula: C22H18BrNO5 MolecularWeight: 456.28602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)C(=O)OC3=CC=CC=C3)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)C(=O)OC3=CC=CC=C3)O)Br

InChI

InChI=1S/C22H18BrNO5/c1-14-7-10-20(18(23)11-14)28-13-21(26)24-15-8-9-17(19(25)12-15)22(27)29-16-5-3-2-4-6-16/h2-12,25H,13H2,1H3,(H,24,26)