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

Systemtic Name: sodium 4-[4-[[cyclopentylcarbonyl(heptan-4-yl)amino]methyl]phenyl]benzoate Openeye Name: sodium 4-[4-[[cyclopentanecarbonyl(1-propylbutyl)amino]methyl]phenyl]benzoate CAS Name: sodium 4-[4-[[[cyclopentyl(oxo)methyl]-heptan-4-ylamino]methyl]phenyl]benzoate IUPAC Name: sodium 4-[4-[[cyclopentanecarbonyl(heptan-4-yl)amino]methyl]phenyl]benzoate Traditional Name: sodium 4-[4-[[cyclopentanecarbonyl(1-propylbutyl)amino]methyl]phenyl]benzoate Formula: C27H34NNaO3 MolecularWeight: 443.55353

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N(CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)[O-])C(=O)C3CCCC3.[Na+]

Isomeric SMILES

CCCC(CCC)N(CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)[O-])C(=O)C3CCCC3.[Na+]

InChI

InChI=1S/C27H35NO3.Na/c1-3-7-25(8-4-2)28(26(29)23-9-5-6-10-23)19-20-11-13-21(14-12-20)22-15-17-24(18-16-22)27(30)31;/h11-18,23,25H,3-10,19H2,1-2H3,(H,30,31);/q;+1/p-1