4-[2-(4-bromanylphenoxy)ethanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[2-(4-bromanylphenoxy)ethanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-(4-bromophenoxy)acetyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[2-(4-bromophenoxy)-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-(4-bromophenoxy)acetyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-(4-bromophenoxy)acetyl]amino]-3-methyl-benzoic acid Formula: C16H14BrNO4 MolecularWeight: 364.19066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)COC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H14BrNO4/c1-10-8-11(16(20)21)2-7-14(10)18-15(19)9-22-13-5-3-12(17)4-6-13/h2-8H,9H2,1H3,(H,18,19)(H,20,21)