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

Systemtic Name: sodium 4-[3-[[2-phenylethanoyl(3-phenylpropyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 4-[3-[[(2-phenylacetyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoate CAS Name: sodium 4-[3-[[(1-oxo-2-phenylethyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoate IUPAC Name: sodium 4-[3-[[(2-phenylacetyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 4-[3-[[(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=CC(=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=CC(=C2)C3=CC=C(C=C3)C(=O)[O-])C(=O)CC4=CC=CC=C4.[Na+]

InChI

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