sodium 4-[4-[[2,2-diphenylethyl(pentanoyl)amino]methyl]phenyl]benzoate

Systemtic Name: sodium 4-[4-[[2,2-diphenylethyl(pentanoyl)amino]methyl]phenyl]benzoate Openeye Name: sodium 4-[4-[[2,2-diphenylethyl(pentanoyl)amino]methyl]phenyl]benzoate CAS Name: sodium 4-[4-[[2,2-diphenylethyl(1-oxopentyl)amino]methyl]phenyl]benzoate IUPAC Name: sodium 4-[4-[[2,2-diphenylethyl(pentanoyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 4-[4-[[2,2-diphenylethyl(valeryl)amino]methyl]phenyl]benzoate Formula: C33H32NNaO3 MolecularWeight: 513.60185

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)[O-])CC(C3=CC=CC=C3)C4=CC=CC=C4.[Na+]

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)[O-])CC(C3=CC=CC=C3)C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C33H33NO3.Na/c1-2-3-14-32(35)34(24-31(28-10-6-4-7-11-28)29-12-8-5-9-13-29)23-25-15-17-26(18-16-25)27-19-21-30(22-20-27)33(36)37;/h4-13,15-22,31H,2-3,14,23-24H2,1H3,(H,36,37);/q;+1/p-1