sodium 2-[2-[[(4-methoxyphenyl)carbonyl-(3-phenylpropyl)amino]methyl]phenyl]benzoate

Systemtic Name: sodium 2-[2-[[(4-methoxyphenyl)carbonyl-(3-phenylpropyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 2-[2-[[(4-methoxybenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoate CAS Name: sodium 2-[2-[[[(4-methoxyphenyl)-oxomethyl]-(3-phenylpropyl)amino]methyl]phenyl]benzoate IUPAC Name: sodium 2-[2-[[(4-methoxybenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 2-[2-[[p-anisoyl(3-phenylpropyl)amino]methyl]phenyl]benzoate Formula: C31H28NNaO4 MolecularWeight: 501.54809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CCCC2=CC=CC=C2)CC3=CC=CC=C3C4=CC=CC=C4C(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CCCC2=CC=CC=C2)CC3=CC=CC=C3C4=CC=CC=C4C(=O)[O-].[Na+]

InChI

InChI=1S/C31H29NO4.Na/c1-36-26-19-17-24(18-20-26)30(33)32(21-9-12-23-10-3-2-4-11-23)22-25-13-5-6-14-27(25)28-15-7-8-16-29(28)31(34)35;/h2-8,10-11,13-20H,9,12,21-22H2,1H3,(H,34,35);/q;+1/p-1