1-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]-5-fluoranyl-pyridin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]-5-fluoranyl-pyridin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-5-fluoro-2-pyridyl]piperidine-4-carboxylic acid CAS Name: 1-[3-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-5-fluoro-2-pyridinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]-5-fluoropyridin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-5-fluoro-2-pyridyl]isonipecotic acid Formula: C29H33ClFN3O3 MolecularWeight: 526.042023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC=C(C=C2C3=CC(=C(C=C3)Cl)C(=O)NCC45CC6CC(C4)CC(C6)C5)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC=C(C=C2C3=CC(=C(C=C3)Cl)C(=O)NCC45CC6CC(C4)CC(C6)C5)F

InChI

InChI=1S/C29H33ClFN3O3/c30-25-2-1-21(23-11-22(31)15-32-26(23)34-5-3-20(4-6-34)28(36)37)10-24(25)27(35)33-16-29-12-17-7-18(13-29)9-19(8-17)14-29/h1-2,10-11,15,17-20H,3-9,12-14,16H2,(H,33,35)(H,36,37)