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

Systemtic Name: sodium 3-[3-[[(phenylmethyl)-(3-phenylpropanoyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 3-[3-[[benzyl(3-phenylpropanoyl)amino]methyl]phenyl]benzoate CAS Name: sodium 3-[3-[[(1-oxo-3-phenylpropyl)-(phenylmethyl)amino]methyl]phenyl]benzoate IUPAC Name: sodium 3-[3-[[benzyl(3-phenylpropanoyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 3-[3-[[benzyl(hydrocinnamoyl)amino]methyl]phenyl]benzoate Formula: C30H26NNaO3 MolecularWeight: 471.52211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)[O-].[Na+]

InChI

InChI=1S/C30H27NO3.Na/c32-29(18-17-23-9-3-1-4-10-23)31(21-24-11-5-2-6-12-24)22-25-13-7-14-26(19-25)27-15-8-16-28(20-27)30(33)34;/h1-16,19-20H,17-18,21-22H2,(H,33,34);/q;+1/p-1