sodium 4-[4-[[cyclopentylcarbonyl(phenethyl)amino]methyl]phenyl]benzoate

Systemtic Name: sodium 4-[4-[[cyclopentylcarbonyl(phenethyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 4-[4-[[cyclopentanecarbonyl(phenethyl)amino]methyl]phenyl]benzoate CAS Name: sodium 4-[4-[[[cyclopentyl(oxo)methyl]-phenethylamino]methyl]phenyl]benzoate IUPAC Name: sodium 4-[4-[[cyclopentanecarbonyl(phenethyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 4-[4-[[cyclopentanecarbonyl(phenethyl)amino]methyl]phenyl]benzoate Formula: C28H28NNaO3 MolecularWeight: 449.51659

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)[O-].[Na+]

Isomeric SMILES

C1CCC(C1)C(=O)N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)[O-].[Na+]

InChI

InChI=1S/C28H29NO3.Na/c30-27(25-8-4-5-9-25)29(19-18-21-6-2-1-3-7-21)20-22-10-12-23(13-11-22)24-14-16-26(17-15-24)28(31)32;/h1-3,6-7,10-17,25H,4-5,8-9,18-20H2,(H,31,32);/q;+1/p-1