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

Systemtic Name: 3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]-5-methyl-pyridine-2-carboxylic acid Openeye Name: 3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-5-methyl-pyridine-2-carboxylic acid CAS Name: 3-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-5-methyl-2-pyridinecarboxylic acid IUPAC Name: 3-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]-5-methylpyridine-2-carboxylic acid Traditional Name: 3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-5-methyl-picolinic acid Formula: C25H27ClN2O3 MolecularWeight: 438.94648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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