3-[4-(1-adamantylmethylcarbamoyl)-5-chloranyl-pyridin-2-yl]benzoic acid

Systemtic Name: 3-[4-(1-adamantylmethylcarbamoyl)-5-chloranyl-pyridin-2-yl]benzoic acid Openeye Name: 3-[4-(1-adamantylmethylcarbamoyl)-5-chloro-2-pyridyl]benzoic acid CAS Name: 3-[4-[(1-adamantylmethylamino)-oxomethyl]-5-chloro-2-pyridinyl]benzoic acid IUPAC Name: 3-[4-(1-adamantylmethylcarbamoyl)-5-chloropyridin-2-yl]benzoic acid Traditional Name: 3-[4-(1-adamantylmethylcarbamoyl)-5-chloro-2-pyridyl]benzoic acid Formula: C24H25ClN2O3 MolecularWeight: 424.9199

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC(=NC=C4Cl)C5=CC(=CC=C5)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC(=NC=C4Cl)C5=CC(=CC=C5)C(=O)O

InChI

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