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

Systemtic Name: 6-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]-3-chloranyl-pyridine-2-carboxylic acid Openeye Name: 6-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-3-chloro-pyridine-2-carboxylic acid CAS Name: 6-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-3-chloro-2-pyridinecarboxylic acid IUPAC Name: 6-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]-3-chloropyridine-2-carboxylic acid Traditional Name: 6-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-3-chloro-picolinic acid Formula: C24H24Cl2N2O3 MolecularWeight: 459.36496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24Cl2N2O3/c25-18-2-1-16(20-4-3-19(26)21(28-20)23(30)31)8-17(18)22(29)27-12-24-9-13-5-14(10-24)7-15(6-13)11-24/h1-4,8,13-15H,5-7,9-12H2,(H,27,29)(H,30,31)