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

Systemtic Name: sodium 4-[4-[[3-phenylpropanoyl(3-phenylpropyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 4-[4-[[3-phenylpropanoyl(3-phenylpropyl)amino]methyl]phenyl]benzoate CAS Name: sodium 4-[4-[[(1-oxo-3-phenylpropyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoate IUPAC Name: sodium 4-[4-[[3-phenylpropanoyl(3-phenylpropyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 4-[4-[[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=C(C=C2)C3=CC=C(C=C3)C(=O)[O-])C(=O)CCC4=CC=CC=C4.[Na+]

Isomeric SMILES

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

InChI

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