sodium 4-[3-[[heptan-4-yl(2-phenylethanoyl)amino]methyl]phenyl]benzoate

Systemtic Name: sodium 4-[3-[[heptan-4-yl(2-phenylethanoyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 4-[3-[[(2-phenylacetyl)-(1-propylbutyl)amino]methyl]phenyl]benzoate CAS Name: sodium 4-[3-[[heptan-4-yl-(1-oxo-2-phenylethyl)amino]methyl]phenyl]benzoate IUPAC Name: sodium 4-[3-[[heptan-4-yl-(2-phenylacetyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 4-[3-[[(2-phenylacetyl)-(1-propylbutyl)amino]methyl]phenyl]benzoate Formula: C29H32NNaO3 MolecularWeight: 465.55905

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33NO3.Na/c1-3-9-27(10-4-2)30(28(31)20-22-11-6-5-7-12-22)21-23-13-8-14-26(19-23)24-15-17-25(18-16-24)29(32)33;/h5-8,11-19,27H,3-4,9-10,20-21H2,1-2H3,(H,32,33);/q;+1/p-1