sodium 4-[4-[[phenethyl(2-phenylethanoyl)amino]methyl]phenyl]benzoate

Systemtic Name: sodium 4-[4-[[phenethyl(2-phenylethanoyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 4-[4-[[phenethyl-(2-phenylacetyl)amino]methyl]phenyl]benzoate CAS Name: sodium 4-[4-[[(1-oxo-2-phenylethyl)-phenethylamino]methyl]phenyl]benzoate IUPAC Name: sodium 4-[4-[[phenethyl-(2-phenylacetyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 4-[4-[[phenethyl-(2-phenylacetyl)amino]methyl]phenyl]benzoate Formula: C30H26NNaO3 MolecularWeight: 471.52211

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)[O-])C(=O)CC4=CC=CC=C4.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)[O-])C(=O)CC4=CC=CC=C4.[Na+]

InChI

InChI=1S/C30H27NO3.Na/c32-29(21-24-9-5-2-6-10-24)31(20-19-23-7-3-1-4-8-23)22-25-11-13-26(14-12-25)27-15-17-28(18-16-27)30(33)34;/h1-18H,19-22H2,(H,33,34);/q;+1/p-1