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

Systemtic Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]-6-methyl-pyridine-3-carboxylic acid Openeye Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]-6-methylpyridine-3-carboxylic acid Traditional Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-6-methyl-nicotinic acid Formula: C25H27ClN2O3 MolecularWeight: 438.94648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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