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

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

InChI

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