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

Systemtic Name: sodium 2-[2-[[2-phenylethanoyl(3-phenylpropyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 2-[2-[[(2-phenylacetyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoate CAS Name: sodium 2-[2-[[(1-oxo-2-phenylethyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoate IUPAC Name: sodium 2-[2-[[(2-phenylacetyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 2-[2-[[(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=C2C3=CC=CC=C3C(=O)[O-])C(=O)CC4=CC=CC=C4.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCCN(CC2=CC=CC=C2C3=CC=CC=C3C(=O)[O-])C(=O)CC4=CC=CC=C4.[Na+]

InChI

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