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

Systemtic Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]-4-methyl-pyridine-3-carboxylic acid Openeye Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-4-methyl-pyridine-3-carboxylic acid CAS Name: 2-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-4-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]-4-methylpyridine-3-carboxylic acid Traditional Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-4-methyl-nicotinic acid Formula: C25H27ClN2O3 MolecularWeight: 438.94648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1)C2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4)C(=O)O

Isomeric SMILES

CC1=C(C(=NC=C1)C2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4)C(=O)O

InChI

InChI=1S/C25H27ClN2O3/c1-14-4-5-27-22(21(14)24(30)31)18-2-3-20(26)19(9-18)23(29)28-13-25-10-15-6-16(11-25)8-17(7-15)12-25/h2-5,9,15-17H,6-8,10-13H2,1H3,(H,28,29)(H,30,31)