2-[4-[3-[ethyl-(4-phenylphenyl)amino]propylsulfanyl]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3-[ethyl-(4-phenylphenyl)amino]propylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3-(N-ethyl-4-phenyl-anilino)propylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[3-(N-ethyl-4-phenylanilino)propylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3-(N-ethyl-4-phenylanilino)propylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[3-(N-ethyl-4-phenyl-anilino)propylthio]-2-methyl-phenoxy]acetic acid Formula: C26H29NO3S MolecularWeight: 435.57836

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCSC1=CC(=C(C=C1)OCC(=O)O)C)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCN(CCCSC1=CC(=C(C=C1)OCC(=O)O)C)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H29NO3S/c1-3-27(23-12-10-22(11-13-23)21-8-5-4-6-9-21)16-7-17-31-24-14-15-25(20(2)18-24)30-19-26(28)29/h4-6,8-15,18H,3,7,16-17,19H2,1-2H3,(H,28,29)