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

Systemtic Name: sodium 4-[4-[[pentanoyl(3-phenylpropyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 4-[4-[[pentanoyl(3-phenylpropyl)amino]methyl]phenyl]benzoate CAS Name: sodium 4-[4-[[1-oxopentyl(3-phenylpropyl)amino]methyl]phenyl]benzoate IUPAC Name: sodium 4-[4-[[pentanoyl(3-phenylpropyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 4-[4-[[3-phenylpropyl(valeryl)amino]methyl]phenyl]benzoate Formula: C28H30NNaO3 MolecularWeight: 451.53247

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CCCC1=CC=CC=C1)CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CCCCC(=O)N(CCCC1=CC=CC=C1)CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C28H31NO3.Na/c1-2-3-11-27(30)29(20-7-10-22-8-5-4-6-9-22)21-23-12-14-24(15-13-23)25-16-18-26(19-17-25)28(31)32;/h4-6,8-9,12-19H,2-3,7,10-11,20-21H2,1H3,(H,31,32);/q;+1/p-1