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

Systemtic Name: sodium 4-[4-[[cyclopentylcarbonyl(3-phenylpropyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 4-[4-[[cyclopentanecarbonyl(3-phenylpropyl)amino]methyl]phenyl]benzoate CAS Name: sodium 4-[4-[[[cyclopentyl(oxo)methyl]-(3-phenylpropyl)amino]methyl]phenyl]benzoate IUPAC Name: sodium 4-[4-[[cyclopentanecarbonyl(3-phenylpropyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 4-[4-[[cyclopentanecarbonyl(3-phenylpropyl)amino]methyl]phenyl]benzoate Formula: C29H30NNaO3 MolecularWeight: 463.54317

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N(CCCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)[O-].[Na+]

Isomeric SMILES

C1CCC(C1)C(=O)N(CCCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)[O-].[Na+]

InChI

InChI=1S/C29H31NO3.Na/c31-28(26-10-4-5-11-26)30(20-6-9-22-7-2-1-3-8-22)21-23-12-14-24(15-13-23)25-16-18-27(19-17-25)29(32)33;/h1-3,7-8,12-19,26H,4-6,9-11,20-21H2,(H,32,33);/q;+1/p-1