sodium 4-[3-[[phenethyl(2-phenylethanoyl)amino]methyl]phenyl]benzoate

Systemtic Name: sodium 4-[3-[[phenethyl(2-phenylethanoyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 4-[3-[[phenethyl-(2-phenylacetyl)amino]methyl]phenyl]benzoate CAS Name: sodium 4-[3-[[(1-oxo-2-phenylethyl)-phenethylamino]methyl]phenyl]benzoate IUPAC Name: sodium 4-[3-[[phenethyl-(2-phenylacetyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 4-[3-[[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=CC(=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=CC(=C2)C3=CC=C(C=C3)C(=O)[O-])C(=O)CC4=CC=CC=C4.[Na+]

InChI

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