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

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

InChI

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