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

Systemtic Name: sodium 4-[3-[[cyclopentylcarbonyl-(phenylmethyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 4-[3-[[benzyl(cyclopentanecarbonyl)amino]methyl]phenyl]benzoate CAS Name: sodium 4-[3-[[[cyclopentyl(oxo)methyl]-(phenylmethyl)amino]methyl]phenyl]benzoate IUPAC Name: sodium 4-[3-[[benzyl(cyclopentanecarbonyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 4-[3-[[benzyl(cyclopentanecarbonyl)amino]methyl]phenyl]benzoate Formula: C27H26NNaO3 MolecularWeight: 435.49001

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)[O-].[Na+]

Isomeric SMILES

C1CCC(C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)[O-].[Na+]

InChI

InChI=1S/C27H27NO3.Na/c29-26(23-10-4-5-11-23)28(18-20-7-2-1-3-8-20)19-21-9-6-12-25(17-21)22-13-15-24(16-14-22)27(30)31;/h1-3,6-9,12-17,23H,4-5,10-11,18-19H2,(H,30,31);/q;+1/p-1