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

Systemtic Name: sodium 2-[2-[[phenethyl(3-phenylpropanoyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 2-[2-[[phenethyl(3-phenylpropanoyl)amino]methyl]phenyl]benzoate CAS Name: sodium 2-[2-[[(1-oxo-3-phenylpropyl)-phenethylamino]methyl]phenyl]benzoate IUPAC Name: sodium 2-[2-[[phenethyl(3-phenylpropanoyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 2-[2-[[hydrocinnamoyl(phenethyl)amino]methyl]phenyl]benzoate Formula: C31H28NNaO3 MolecularWeight: 485.54869

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3C4=CC=CC=C4C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3C4=CC=CC=C4C(=O)[O-].[Na+]

InChI

InChI=1S/C31H29NO3.Na/c33-30(20-19-24-11-3-1-4-12-24)32(22-21-25-13-5-2-6-14-25)23-26-15-7-8-16-27(26)28-17-9-10-18-29(28)31(34)35;/h1-18H,19-23H2,(H,34,35);/q;+1/p-1