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

Systemtic Name: sodium 3-[3-[[3-phenylpropanoyl(3-phenylpropyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 3-[3-[[3-phenylpropanoyl(3-phenylpropyl)amino]methyl]phenyl]benzoate CAS Name: sodium 3-[3-[[(1-oxo-3-phenylpropyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoate IUPAC Name: sodium 3-[3-[[3-phenylpropanoyl(3-phenylpropyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 3-[3-[[hydrocinnamoyl(3-phenylpropyl)amino]methyl]phenyl]benzoate Formula: C32H30NNaO3 MolecularWeight: 499.57527

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN(CC2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)[O-])C(=O)CCC4=CC=CC=C4.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCCN(CC2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)[O-])C(=O)CCC4=CC=CC=C4.[Na+]

InChI

InChI=1S/C32H31NO3.Na/c34-31(20-19-26-12-5-2-6-13-26)33(21-9-15-25-10-3-1-4-11-25)24-27-14-7-16-28(22-27)29-17-8-18-30(23-29)32(35)36;/h1-8,10-14,16-18,22-23H,9,15,19-21,24H2,(H,35,36);/q;+1/p-1