sodium 3-[3-[[(4-chlorophenyl)carbonyl-(phenylmethyl)amino]methyl]phenyl]benzoate

Systemtic Name: sodium 3-[3-[[(4-chlorophenyl)carbonyl-(phenylmethyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 3-[3-[[benzyl-(4-chlorobenzoyl)amino]methyl]phenyl]benzoate CAS Name: sodium 3-[3-[[[(4-chlorophenyl)-oxomethyl]-(phenylmethyl)amino]methyl]phenyl]benzoate IUPAC Name: sodium 3-[3-[[benzyl-(4-chlorobenzoyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 3-[3-[[benzyl-(4-chlorobenzoyl)amino]methyl]phenyl]benzoate Formula: C28H21ClNNaO3 MolecularWeight: 477.91401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H22ClNO3.Na/c29-26-14-12-22(13-15-26)27(31)30(18-20-6-2-1-3-7-20)19-21-8-4-9-23(16-21)24-10-5-11-25(17-24)28(32)33;/h1-17H,18-19H2,(H,32,33);/q;+1/p-1