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

Systemtic Name: 1-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]pyridin-2-yl]-4-oxidanyl-piperidine-4-carboxylic acid Openeye Name: 1-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-2-pyridyl]-4-hydroxy-piperidine-4-carboxylic acid CAS Name: 1-[3-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-2-pyridinyl]-4-hydroxy-4-piperidinecarboxylic acid IUPAC Name: 1-[3-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]pyridin-2-yl]-4-hydroxypiperidine-4-carboxylic acid Traditional Name: 1-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-2-pyridyl]-4-hydroxy-isonipecotic acid Formula: C29H34ClN3O4 MolecularWeight: 524.05096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)O)O)C2=C(C=CC=N2)C3=CC(=C(C=C3)Cl)C(=O)NCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCC1(C(=O)O)O)C2=C(C=CC=N2)C3=CC(=C(C=C3)Cl)C(=O)NCC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H34ClN3O4/c30-24-4-3-21(22-2-1-7-31-25(22)33-8-5-29(37,6-9-33)27(35)36)13-23(24)26(34)32-17-28-14-18-10-19(15-28)12-20(11-18)16-28/h1-4,7,13,18-20,37H,5-6,8-12,14-17H2,(H,32,34)(H,35,36)