2-methylsulfanyl-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid

Systemtic Name: 2-methylsulfanyl-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid Openeye Name: 2-methylsulfanyl-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid CAS Name: 2-(methylthio)-5-[[1-oxo-3-[4-(5-phenylpentoxy)phenyl]propyl]amino]benzoic acid IUPAC Name: 2-methylsulfanyl-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid Traditional Name: 2-(methylthio)-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid Formula: C28H31NO4S MolecularWeight: 477.61504

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)NC(=O)CCC2=CC=C(C=C2)OCCCCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CSC1=C(C=C(C=C1)NC(=O)CCC2=CC=C(C=C2)OCCCCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C28H31NO4S/c1-34-26-17-14-23(20-25(26)28(31)32)29-27(30)18-13-22-11-15-24(16-12-22)33-19-7-3-6-10-21-8-4-2-5-9-21/h2,4-5,8-9,11-12,14-17,20H,3,6-7,10,13,18-19H2,1H3,(H,29,30)(H,31,32)