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

Systemtic Name: sodium 4-[3-[[(phenylmethyl)-(3-phenylpropanoyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 4-[3-[[benzyl(3-phenylpropanoyl)amino]methyl]phenyl]benzoate CAS Name: sodium 4-[3-[[(1-oxo-3-phenylpropyl)-(phenylmethyl)amino]methyl]phenyl]benzoate IUPAC Name: sodium 4-[3-[[benzyl(3-phenylpropanoyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 4-[3-[[benzyl(hydrocinnamoyl)amino]methyl]phenyl]benzoate Formula: C30H26NNaO3 MolecularWeight: 471.52211

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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