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

Systemtic Name: sodium 4-[4-[[heptan-4-yl(3-phenylpropanoyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 4-[4-[[3-phenylpropanoyl(1-propylbutyl)amino]methyl]phenyl]benzoate CAS Name: sodium 4-[4-[[heptan-4-yl-(1-oxo-3-phenylpropyl)amino]methyl]phenyl]benzoate IUPAC Name: sodium 4-[4-[[heptan-4-yl(3-phenylpropanoyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 4-[4-[[hydrocinnamoyl(1-propylbutyl)amino]methyl]phenyl]benzoate Formula: C30H34NNaO3 MolecularWeight: 479.58563

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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)CCC3=CC=CC=C3.[Na+]

Isomeric SMILES

CCCC(CCC)N(CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)[O-])C(=O)CCC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C30H35NO3.Na/c1-3-8-28(9-4-2)31(29(32)21-14-23-10-6-5-7-11-23)22-24-12-15-25(16-13-24)26-17-19-27(20-18-26)30(33)34;/h5-7,10-13,15-20,28H,3-4,8-9,14,21-22H2,1-2H3,(H,33,34);/q;+1/p-1