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

Systemtic Name: sodium 4-[[4-[3-oxidanyl-2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]phenyl]carbamoyl]benzoate Openeye Name: sodium 4-[[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]phenyl]carbamoyl]benzoate CAS Name: sodium 4-[[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]anilino]-oxomethyl]benzoate IUPAC Name: sodium 4-[[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]phenyl]carbamoyl]benzoate Traditional Name: sodium 4-[[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]phenyl]carbamoyl]benzoate Formula: C26H27N2NaO6 MolecularWeight: 486.49215

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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.[Na+]

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.[Na+]

InChI

InChI=1S/C26H28N2O6.Na/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);/q;+1/p-1