5-bromanyl-2-[(5-phenyl-1-benzofuran-2-yl)methoxycarbonylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[(5-phenyl-1-benzofuran-2-yl)methoxycarbonylamino]benzoic acid Openeye Name: 5-bromo-2-[(5-phenylbenzofuran-2-yl)methoxycarbonylamino]benzoic acid CAS Name: 5-bromo-2-[[oxo-[(5-phenyl-2-benzofuranyl)methoxy]methyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[(5-phenyl-1-benzofuran-2-yl)methoxycarbonylamino]benzoic acid Traditional Name: 5-bromo-2-[(5-phenylbenzofuran-2-yl)methoxycarbonylamino]benzoic acid Formula: C23H16BrNO5 MolecularWeight: 466.28084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)COC(=O)NC4=C(C=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)COC(=O)NC4=C(C=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C23H16BrNO5/c24-17-7-8-20(19(12-17)22(26)27)25-23(28)29-13-18-11-16-10-15(6-9-21(16)30-18)14-4-2-1-3-5-14/h1-12H,13H2,(H,25,28)(H,26,27)