sodium 3-[3-[[heptan-4-yl(phenylcarbonyl)amino]methyl]phenyl]benzoate

Systemtic Name: sodium 3-[3-[[heptan-4-yl(phenylcarbonyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 3-[3-[[benzoyl(1-propylbutyl)amino]methyl]phenyl]benzoate CAS Name: sodium 3-[3-[[benzoyl(heptan-4-yl)amino]methyl]phenyl]benzoate IUPAC Name: sodium 3-[3-[[benzoyl(heptan-4-yl)amino]methyl]phenyl]benzoate Traditional Name: sodium 3-[3-[[benzoyl(1-propylbutyl)amino]methyl]phenyl]benzoate Formula: C28H30NNaO3 MolecularWeight: 451.53247

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N(CC1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)[O-])C(=O)C3=CC=CC=C3.[Na+]

Isomeric SMILES

CCCC(CCC)N(CC1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)[O-])C(=O)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C28H31NO3.Na/c1-3-10-26(11-4-2)29(27(30)22-13-6-5-7-14-22)20-21-12-8-15-23(18-21)24-16-9-17-25(19-24)28(31)32;/h5-9,12-19,26H,3-4,10-11,20H2,1-2H3,(H,31,32);/q;+1/p-1