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

Systemtic Name: sodium 4-[3-[[cyclopentylcarbonyl(3-phenylpropyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 4-[3-[[cyclopentanecarbonyl(3-phenylpropyl)amino]methyl]phenyl]benzoate CAS Name: sodium 4-[3-[[[cyclopentyl(oxo)methyl]-(3-phenylpropyl)amino]methyl]phenyl]benzoate IUPAC Name: sodium 4-[3-[[cyclopentanecarbonyl(3-phenylpropyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 4-[3-[[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=CC(=C3)C4=CC=C(C=C4)C(=O)[O-].[Na+]

Isomeric SMILES

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

InChI

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