2-[4-[2-[ethyl-(4-phenylphenyl)amino]ethylsulfanyl]-3-methoxy-phenoxy]propanoic acid

Systemtic Name: 2-[4-[2-[ethyl-(4-phenylphenyl)amino]ethylsulfanyl]-3-methoxy-phenoxy]propanoic acid Openeye Name: 2-[4-[2-(N-ethyl-4-phenyl-anilino)ethylsulfanyl]-3-methoxy-phenoxy]propanoic acid CAS Name: 2-[4-[2-(N-ethyl-4-phenylanilino)ethylthio]-3-methoxyphenoxy]propanoic acid IUPAC Name: 2-[4-[2-(N-ethyl-4-phenylanilino)ethylsulfanyl]-3-methoxyphenoxy]propanoic acid Traditional Name: 2-[4-[2-(N-ethyl-4-phenyl-anilino)ethylthio]-3-methoxy-phenoxy]propionic acid Formula: C26H29NO4S MolecularWeight: 451.57776

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCSC1=C(C=C(C=C1)OC(C)C(=O)O)OC)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCN(CCSC1=C(C=C(C=C1)OC(C)C(=O)O)OC)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H29NO4S/c1-4-27(22-12-10-21(11-13-22)20-8-6-5-7-9-20)16-17-32-25-15-14-23(18-24(25)30-3)31-19(2)26(28)29/h5-15,18-19H,4,16-17H2,1-3H3,(H,28,29)