sodium 4-[4-[[2-(2-chlorophenyl)ethyl-pentanoyl-amino]methyl]phenyl]benzoate

Systemtic Name: sodium 4-[4-[[2-(2-chlorophenyl)ethyl-pentanoyl-amino]methyl]phenyl]benzoate Openeye Name: sodium 4-[4-[[2-(2-chlorophenyl)ethyl-pentanoyl-amino]methyl]phenyl]benzoate CAS Name: sodium 4-[4-[[2-(2-chlorophenyl)ethyl-(1-oxopentyl)amino]methyl]phenyl]benzoate IUPAC Name: sodium 4-[4-[[2-(2-chlorophenyl)ethyl-pentanoylamino]methyl]phenyl]benzoate Traditional Name: sodium 4-[4-[[2-(2-chlorophenyl)ethyl-valeryl-amino]methyl]phenyl]benzoate Formula: C27H27ClNNaO3 MolecularWeight: 471.95095

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CCC1=CC=CC=C1Cl)CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CCCCC(=O)N(CCC1=CC=CC=C1Cl)CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C27H28ClNO3.Na/c1-2-3-8-26(30)29(18-17-23-6-4-5-7-25(23)28)19-20-9-11-21(12-10-20)22-13-15-24(16-14-22)27(31)32;/h4-7,9-16H,2-3,8,17-19H2,1H3,(H,31,32);/q;+1/p-1