sodium 3-[[4-[3-oxidanyl-2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]phenyl]carbamoylamino]benzoate

Systemtic Name: sodium 3-[[4-[3-oxidanyl-2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]phenyl]carbamoylamino]benzoate Openeye Name: sodium 3-[[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]phenyl]carbamoylamino]benzoate CAS Name: sodium 3-[[[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]anilino]-oxomethyl]amino]benzoate IUPAC Name: sodium 3-[[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]phenyl]carbamoylamino]benzoate Traditional Name: sodium 3-[[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]phenyl]carbamoylamino]benzoate Formula: C26H28N3NaO6 MolecularWeight: 501.50679

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)NC3=CC=CC(=C3)C(=O)[O-])CO)O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)OCC(CNC(CC2=CC=C(C=C2)NC(=O)NC3=CC=CC(=C3)C(=O)[O-])CO)O.[Na+]

InChI

InChI=1S/C26H29N3O6.Na/c30-16-22(27-15-23(31)17-35-24-7-2-1-3-8-24)13-18-9-11-20(12-10-18)28-26(34)29-21-6-4-5-19(14-21)25(32)33;/h1-12,14,22-23,27,30-31H,13,15-17H2,(H,32,33)(H2,28,29,34);/q;+1/p-1