2-[2-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]pyridin-3-yl]oxyethanoic acid

Systemtic Name: 2-[2-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]pyridin-3-yl]oxyethanoic acid Openeye Name: 2-[[2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-3-pyridyl]oxy]acetic acid CAS Name: 2-[[2-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-3-pyridinyl]oxy]acetic acid IUPAC Name: 2-[2-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]pyridin-3-yl]oxyacetic acid Traditional Name: 2-[[2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-3-pyridyl]oxy]acetic acid Formula: C25H27ClN2O4 MolecularWeight: 454.94588

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)C5=C(C=CC=N5)OCC(=O)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)C5=C(C=CC=N5)OCC(=O)O)Cl

InChI

InChI=1S/C25H27ClN2O4/c26-20-4-3-18(23-21(2-1-5-27-23)32-13-22(29)30)9-19(20)24(31)28-14-25-10-15-6-16(11-25)8-17(7-15)12-25/h1-5,9,15-17H,6-8,10-14H2,(H,28,31)(H,29,30)