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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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