sodium 2-[2-[[3-phenylpropanoyl(3-phenylpropyl)amino]methyl]phenyl]benzoate

Systemtic Name: sodium 2-[2-[[3-phenylpropanoyl(3-phenylpropyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 2-[2-[[3-phenylpropanoyl(3-phenylpropyl)amino]methyl]phenyl]benzoate CAS Name: sodium 2-[2-[[(1-oxo-3-phenylpropyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoate IUPAC Name: sodium 2-[2-[[3-phenylpropanoyl(3-phenylpropyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 2-[2-[[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=C2C3=CC=CC=C3C(=O)[O-])C(=O)CCC4=CC=CC=C4.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCCN(CC2=CC=CC=C2C3=CC=CC=C3C(=O)[O-])C(=O)CCC4=CC=CC=C4.[Na+]

InChI

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