1-[3-[3-(1-adamantylmethylcarbamoyl)-4-methyl-phenyl]pyridin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-[3-(1-adamantylmethylcarbamoyl)-4-methyl-phenyl]pyridin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[3-[3-(1-adamantylmethylcarbamoyl)-4-methyl-phenyl]-2-pyridyl]piperidine-4-carboxylic acid CAS Name: 1-[3-[3-[(1-adamantylmethylamino)-oxomethyl]-4-methylphenyl]-2-pyridinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-[3-(1-adamantylmethylcarbamoyl)-4-methylphenyl]pyridin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[3-[3-(1-adamantylmethylcarbamoyl)-4-methyl-phenyl]-2-pyridyl]isonipecotic acid Formula: C30H37N3O3 MolecularWeight: 487.63308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(N=CC=C2)N3CCC(CC3)C(=O)O)C(=O)NCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(N=CC=C2)N3CCC(CC3)C(=O)O)C(=O)NCC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H37N3O3/c1-19-4-5-24(25-3-2-8-31-27(25)33-9-6-23(7-10-33)29(35)36)14-26(19)28(34)32-18-30-15-20-11-21(16-30)13-22(12-20)17-30/h2-5,8,14,20-23H,6-7,9-13,15-18H2,1H3,(H,32,34)(H,35,36)