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

Systemtic Name: sodium 4-[3-[[2-phenylethanoyl-(phenylmethyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 4-[3-[[benzyl-(2-phenylacetyl)amino]methyl]phenyl]benzoate CAS Name: sodium 4-[3-[[(1-oxo-2-phenylethyl)-(phenylmethyl)amino]methyl]phenyl]benzoate IUPAC Name: sodium 4-[3-[[benzyl-(2-phenylacetyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 4-[3-[[benzyl-(2-phenylacetyl)amino]methyl]phenyl]benzoate Formula: C29H24NNaO3 MolecularWeight: 457.49553

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)[O-].[Na+]

InChI

InChI=1S/C29H25NO3.Na/c31-28(19-22-8-3-1-4-9-22)30(20-23-10-5-2-6-11-23)21-24-12-7-13-27(18-24)25-14-16-26(17-15-25)29(32)33;/h1-18H,19-21H2,(H,32,33);/q;+1/p-1