4-[[4-[3-oxidanyl-2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]phenyl]carbamoyl]benzoic acid

Systemtic Name: 4-[[4-[3-oxidanyl-2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]phenyl]carbamoyl]benzoic acid Openeye Name: 4-[[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]phenyl]carbamoyl]benzoic acid CAS Name: 4-[[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]anilino]-oxomethyl]benzoic acid IUPAC Name: 4-[[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]phenyl]carbamoyl]benzoic acid Traditional Name: 4-[[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]phenyl]carbamoyl]benzoic acid Formula: C26H28N2O6 MolecularWeight: 464.51032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(CNC(CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)CO)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(CNC(CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)CO)O

InChI

InChI=1S/C26H28N2O6/c29-16-22(27-15-23(30)17-34-24-4-2-1-3-5-24)14-18-6-12-21(13-7-18)28-25(31)19-8-10-20(11-9-19)26(32)33/h1-13,22-23,27,29-30H,14-17H2,(H,28,31)(H,32,33)