2-[[3-(2-bromanylphenoxy)-2-oxidanyl-propyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-(2-bromanylphenoxy)-2-oxidanyl-propyl]carbamoyl]benzoic acid Openeye Name: 2-[[3-(2-bromophenoxy)-2-hydroxy-propyl]carbamoyl]benzoic acid CAS Name: 2-[[[3-(2-bromophenoxy)-2-hydroxypropyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-(2-bromophenoxy)-2-hydroxypropyl]carbamoyl]benzoic acid Traditional Name: 2-[[3-(2-bromophenoxy)-2-hydroxy-propyl]carbamoyl]benzoic acid Formula: C17H16BrNO5 MolecularWeight: 394.21664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC(COC2=CC=CC=C2Br)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC(COC2=CC=CC=C2Br)O)C(=O)O

InChI

InChI=1S/C17H16BrNO5/c18-14-7-3-4-8-15(14)24-10-11(20)9-19-16(21)12-5-1-2-6-13(12)17(22)23/h1-8,11,20H,9-10H2,(H,19,21)(H,22,23)