2-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]-5-chloranyl-pyridine-3-carboxylic acid

Systemtic Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]-5-chloranyl-pyridine-3-carboxylic acid Openeye Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-5-chloro-pyridine-3-carboxylic acid CAS Name: 2-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-5-chloro-3-pyridinecarboxylic acid IUPAC Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]-5-chloropyridine-3-carboxylic acid Traditional Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-5-chloro-nicotinic 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=C5C(=O)O)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)C5=NC=C(C=C5C(=O)O)Cl)Cl

InChI

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