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

Systemtic Name: sodium 4-[4-[[butyl(3-phenylpropanoyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 4-[4-[[butyl(3-phenylpropanoyl)amino]methyl]phenyl]benzoate CAS Name: sodium 4-[4-[[butyl-(1-oxo-3-phenylpropyl)amino]methyl]phenyl]benzoate IUPAC Name: sodium 4-[4-[[butyl(3-phenylpropanoyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 4-[4-[[butyl(hydrocinnamoyl)amino]methyl]phenyl]benzoate Formula: C27H28NNaO3 MolecularWeight: 437.50589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO3.Na/c1-2-3-19-28(26(29)18-11-21-7-5-4-6-8-21)20-22-9-12-23(13-10-22)24-14-16-25(17-15-24)27(30)31;/h4-10,12-17H,2-3,11,18-20H2,1H3,(H,30,31);/q;+1/p-1