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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CCCC2=CC=CC=C2)CC3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CCCC2=CC=CC=C2)CC3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)[O-].[Na+]

InChI

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