sodium 4-[4-[[(4-chlorophenyl)carbonyl-phenyl-amino]methyl]phenyl]benzoate

Systemtic Name: sodium 4-[4-[[(4-chlorophenyl)carbonyl-phenyl-amino]methyl]phenyl]benzoate Openeye Name: sodium 4-[4-[(N-(4-chlorobenzoyl)anilino)methyl]phenyl]benzoate CAS Name: sodium 4-[4-[(N-[(4-chlorophenyl)-oxomethyl]anilino)methyl]phenyl]benzoate IUPAC Name: sodium 4-[4-[(N-(4-chlorobenzoyl)anilino)methyl]phenyl]benzoate Traditional Name: sodium 4-[4-[(N-(4-chlorobenzoyl)anilino)methyl]phenyl]benzoate Formula: C27H19ClNNaO3 MolecularWeight: 463.88743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)[O-])C(=O)C4=CC=C(C=C4)Cl.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N(CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)[O-])C(=O)C4=CC=C(C=C4)Cl.[Na+]

InChI

InChI=1S/C27H20ClNO3.Na/c28-24-16-14-22(15-17-24)26(30)29(25-4-2-1-3-5-25)18-19-6-8-20(9-7-19)21-10-12-23(13-11-21)27(31)32;/h1-17H,18H2,(H,31,32);/q;+1/p-1