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

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

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)[O-].[Na+]

InChI

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