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

Systemtic Name: sodium 2-[2-[[heptan-4-yl(3-phenylpropanoyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 2-[2-[[3-phenylpropanoyl(1-propylbutyl)amino]methyl]phenyl]benzoate CAS Name: sodium 2-[2-[[heptan-4-yl-(1-oxo-3-phenylpropyl)amino]methyl]phenyl]benzoate IUPAC Name: sodium 2-[2-[[heptan-4-yl(3-phenylpropanoyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 2-[2-[[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=CC=C1C2=CC=CC=C2C(=O)[O-])C(=O)CCC3=CC=CC=C3.[Na+]

Isomeric SMILES

CCCC(CCC)N(CC1=CC=CC=C1C2=CC=CC=C2C(=O)[O-])C(=O)CCC3=CC=CC=C3.[Na+]

InChI

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