2-[4-[3-(1-adamantylmethylcarbamoyl)pyridin-2-yl]sulfanylphenoxy]ethanoic acid

Systemtic Name: 2-[4-[3-(1-adamantylmethylcarbamoyl)pyridin-2-yl]sulfanylphenoxy]ethanoic acid Openeye Name: 2-[4-[[3-(1-adamantylmethylcarbamoyl)-2-pyridyl]sulfanyl]phenoxy]acetic acid CAS Name: 2-[4-[[3-[(1-adamantylmethylamino)-oxomethyl]-2-pyridinyl]thio]phenoxy]acetic acid IUPAC Name: 2-[4-[3-(1-adamantylmethylcarbamoyl)pyridin-2-yl]sulfanylphenoxy]acetic acid Traditional Name: 2-[4-[[3-(1-adamantylmethylcarbamoyl)-2-pyridyl]thio]phenoxy]acetic acid Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(N=CC=C4)SC5=CC=C(C=C5)OCC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(N=CC=C4)SC5=CC=C(C=C5)OCC(=O)O

InChI

InChI=1S/C25H28N2O4S/c28-22(29)14-31-19-3-5-20(6-4-19)32-24-21(2-1-7-26-24)23(30)27-15-25-11-16-8-17(12-25)10-18(9-16)13-25/h1-7,16-18H,8-15H2,(H,27,30)(H,28,29)