2-[5-methoxy-2-methyl-4-[3-[methyl-(5-phenylpyridin-2-yl)amino]propylsulfanyl]phenoxy]ethanoic acid

Systemtic Name: 2-[5-methoxy-2-methyl-4-[3-[methyl-(5-phenylpyridin-2-yl)amino]propylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[5-methoxy-2-methyl-4-[3-[methyl-(5-phenyl-2-pyridyl)amino]propylsulfanyl]phenoxy]acetic acid CAS Name: 2-[5-methoxy-2-methyl-4-[3-[methyl-(5-phenyl-2-pyridinyl)amino]propylthio]phenoxy]acetic acid IUPAC Name: 2-[5-methoxy-2-methyl-4-[3-[methyl-(5-phenylpyridin-2-yl)amino]propylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[5-methoxy-2-methyl-4-[3-[methyl-(5-phenyl-2-pyridyl)amino]propylthio]phenoxy]acetic acid Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCC(=O)O)OC)SCCCN(C)C2=NC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1OCC(=O)O)OC)SCCCN(C)C2=NC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H28N2O4S/c1-18-14-23(22(30-3)15-21(18)31-17-25(28)29)32-13-7-12-27(2)24-11-10-20(16-26-24)19-8-5-4-6-9-19/h4-6,8-11,14-16H,7,12-13,17H2,1-3H3,(H,28,29)