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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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