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

Systemtic Name: sodium 2-[2-[[phenyl(3-phenylpropanoyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 2-[2-[[N-(3-phenylpropanoyl)anilino]methyl]phenyl]benzoate CAS Name: sodium 2-[2-[(N-(1-oxo-3-phenylpropyl)anilino)methyl]phenyl]benzoate IUPAC Name: sodium 2-[2-[[N-(3-phenylpropanoyl)anilino]methyl]phenyl]benzoate Traditional Name: sodium 2-[2-[(N-hydrocinnamoylanilino)methyl]phenyl]benzoate Formula: C29H24NNaO3 MolecularWeight: 457.49553

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H25NO3.Na/c31-28(20-19-22-11-3-1-4-12-22)30(24-14-5-2-6-15-24)21-23-13-7-8-16-25(23)26-17-9-10-18-27(26)29(32)33;/h1-18H,19-21H2,(H,32,33);/q;+1/p-1