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

Systemtic Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-methyl-phenyl]pyridine-3-carboxylic acid Openeye Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-methyl-phenyl]pyridine-3-carboxylic acid CAS Name: 2-[3-[(1-adamantylmethylamino)-oxomethyl]-4-methylphenyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-methylphenyl]pyridine-3-carboxylic acid Traditional Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-methyl-phenyl]nicotinic acid Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=CC=N2)C(=O)O)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=CC=N2)C(=O)O)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H28N2O3/c1-15-4-5-19(22-20(24(29)30)3-2-6-26-22)10-21(15)23(28)27-14-25-11-16-7-17(12-25)9-18(8-16)13-25/h2-6,10,16-18H,7-9,11-14H2,1H3,(H,27,28)(H,29,30)