3-(carboxymethyloxy)-4-[[4-(4-phenylbutoxy)phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-(carboxymethyloxy)-4-[[4-(4-phenylbutoxy)phenyl]carbonylamino]benzoic acid Openeye Name: 3-(carboxymethyloxy)-4-[[4-(4-phenylbutoxy)benzoyl]amino]benzoic acid CAS Name: 3-(carboxymethyloxy)-4-[[oxo-[4-(4-phenylbutoxy)phenyl]methyl]amino]benzoic acid IUPAC Name: 3-(carboxymethyloxy)-4-[[4-(4-phenylbutoxy)benzoyl]amino]benzoic acid Traditional Name: 3-(carboxymethyloxy)-4-[[4-(4-phenylbutoxy)benzoyl]amino]benzoic acid Formula: C26H25NO7 MolecularWeight: 463.4792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)C(=O)O)OCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)C(=O)O)OCC(=O)O

InChI

InChI=1S/C26H25NO7/c28-24(29)17-34-23-16-20(26(31)32)11-14-22(23)27-25(30)19-9-12-21(13-10-19)33-15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-14,16H,4-5,8,15,17H2,(H,27,30)(H,28,29)(H,31,32)