sodium 4-[4-[[2-phenylethanoyl(3-phenylpropyl)amino]methyl]phenyl]benzoate

Systemtic Name: sodium 4-[4-[[2-phenylethanoyl(3-phenylpropyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 4-[4-[[(2-phenylacetyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoate CAS Name: sodium 4-[4-[[(1-oxo-2-phenylethyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoate IUPAC Name: sodium 4-[4-[[(2-phenylacetyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 4-[4-[[(2-phenylacetyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoate Formula: C31H28NNaO3 MolecularWeight: 485.54869

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN(CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)[O-])C(=O)CC4=CC=CC=C4.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCCN(CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)[O-])C(=O)CC4=CC=CC=C4.[Na+]

InChI

InChI=1S/C31H29NO3.Na/c33-30(22-25-10-5-2-6-11-25)32(21-7-12-24-8-3-1-4-9-24)23-26-13-15-27(16-14-26)28-17-19-29(20-18-28)31(34)35;/h1-6,8-11,13-20H,7,12,21-23H2,(H,34,35);/q;+1/p-1