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

Systemtic Name: sodium 3-[3-[[phenyl(3-phenylpropanoyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 3-[3-[[N-(3-phenylpropanoyl)anilino]methyl]phenyl]benzoate CAS Name: sodium 3-[3-[(N-(1-oxo-3-phenylpropyl)anilino)methyl]phenyl]benzoate IUPAC Name: sodium 3-[3-[[N-(3-phenylpropanoyl)anilino]methyl]phenyl]benzoate Traditional Name: sodium 3-[3-[(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(=C2)C3=CC(=CC=C3)C(=O)[O-])C4=CC=CC=C4.[Na+]

Isomeric SMILES

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

InChI

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