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

Systemtic Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]pyridine-4-carboxylic acid Openeye Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]pyridine-4-carboxylic acid CAS Name: 2-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-4-pyridinecarboxylic acid IUPAC Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]pyridine-4-carboxylic acid Traditional Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]isonicotinic acid Formula: C24H25ClN2O3 MolecularWeight: 424.9199

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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(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN2O3/c25-20-2-1-17(21-9-18(23(29)30)3-4-26-21)8-19(20)22(28)27-13-24-10-14-5-15(11-24)7-16(6-14)12-24/h1-4,8-9,14-16H,5-7,10-13H2,(H,27,28)(H,29,30)