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

Systemtic Name: 1-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]pyridin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-2-pyridyl]piperidine-4-carboxylic acid CAS Name: 1-[3-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-2-pyridinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]pyridin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-2-pyridyl]isonipecotic acid Formula: C29H34ClN3O3 MolecularWeight: 508.05156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C=CC=N2)C3=CC(=C(C=C3)Cl)C(=O)NCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C=CC=N2)C3=CC(=C(C=C3)Cl)C(=O)NCC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H34ClN3O3/c30-25-4-3-22(23-2-1-7-31-26(23)33-8-5-21(6-9-33)28(35)36)13-24(25)27(34)32-17-29-14-18-10-19(15-29)12-20(11-18)16-29/h1-4,7,13,18-21H,5-6,8-12,14-17H2,(H,32,34)(H,35,36)