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

Systemtic Name: sodium 3-[3-[[heptan-4-yl(3-phenylpropanoyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 3-[3-[[3-phenylpropanoyl(1-propylbutyl)amino]methyl]phenyl]benzoate CAS Name: sodium 3-[3-[[heptan-4-yl-(1-oxo-3-phenylpropyl)amino]methyl]phenyl]benzoate IUPAC Name: sodium 3-[3-[[heptan-4-yl(3-phenylpropanoyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 3-[3-[[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(=C1)C2=CC(=CC=C2)C(=O)[O-])C(=O)CCC3=CC=CC=C3.[Na+]

Isomeric SMILES

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

InChI

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