sodium 4-[4-[[butyl(2-phenylethanoyl)amino]methyl]phenyl]benzoate

Systemtic Name: sodium 4-[4-[[butyl(2-phenylethanoyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 4-[4-[[butyl-(2-phenylacetyl)amino]methyl]phenyl]benzoate CAS Name: sodium 4-[4-[[butyl-(1-oxo-2-phenylethyl)amino]methyl]phenyl]benzoate IUPAC Name: sodium 4-[4-[[butyl-(2-phenylacetyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 4-[4-[[butyl-(2-phenylacetyl)amino]methyl]phenyl]benzoate Formula: C26H26NNaO3 MolecularWeight: 423.47931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)[O-])C(=O)CC3=CC=CC=C3.[Na+]

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)[O-])C(=O)CC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C26H27NO3.Na/c1-2-3-17-27(25(28)18-20-7-5-4-6-8-20)19-21-9-11-22(12-10-21)23-13-15-24(16-14-23)26(29)30;/h4-16H,2-3,17-19H2,1H3,(H,29,30);/q;+1/p-1