6-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid

Systemtic Name: 6-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid Openeye Name: 6-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid CAS Name: 6-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-4-(trifluoromethyl)-2-pyridinecarboxylic acid IUPAC Name: 6-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid Traditional Name: 6-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-4-(trifluoromethyl)picolinic acid Formula: C25H24ClF3N2O3 MolecularWeight: 492.91787

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)C5=NC(=CC(=C5)C(F)(F)F)C(=O)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)C5=NC(=CC(=C5)C(F)(F)F)C(=O)O)Cl

InChI

InChI=1S/C25H24ClF3N2O3/c26-19-2-1-16(20-7-17(25(27,28)29)8-21(31-20)23(33)34)6-18(19)22(32)30-12-24-9-13-3-14(10-24)5-15(4-13)11-24/h1-2,6-8,13-15H,3-5,9-12H2,(H,30,32)(H,33,34)