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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=CC=N2)C3=CC(=C(C=C3)Cl)C(=O)NCC45CC6CC(C4)CC(C6)C5)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2=C(C=CC=N2)C3=CC(=C(C=C3)Cl)C(=O)NCC45CC6CC(C4)CC(C6)C5)C(=O)O

InChI

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