sodium 4-[4-[2-[[2-(4-chlorophenyl)-2-oxidanyl-ethyl]amino]ethyl]phenyl]benzoate

Systemtic Name: sodium 4-[4-[2-[[2-(4-chlorophenyl)-2-oxidanyl-ethyl]amino]ethyl]phenyl]benzoate Openeye Name: sodium 4-[4-[2-[[2-(4-chlorophenyl)-2-hydroxy-ethyl]amino]ethyl]phenyl]benzoate CAS Name: sodium 4-[4-[2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]benzoate IUPAC Name: sodium 4-[4-[2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]benzoate Traditional Name: sodium 4-[4-[2-[[2-(4-chlorophenyl)-2-hydroxy-ethyl]amino]ethyl]phenyl]benzoate Formula: C23H21ClNNaO3 MolecularWeight: 417.86051

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNCC(C2=CC=C(C=C2)Cl)O)C3=CC=C(C=C3)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1CCNCC(C2=CC=C(C=C2)Cl)O)C3=CC=C(C=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C23H22ClNO3.Na/c24-21-11-9-19(10-12-21)22(26)15-25-14-13-16-1-3-17(4-2-16)18-5-7-20(8-6-18)23(27)28;/h1-12,22,25-26H,13-15H2,(H,27,28);/q;+1/p-1