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

Systemtic Name: 4-[1-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]-2-oxidanyl-ethyl]piperidine-1-carboxylic acid Openeye Name: 4-[1-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-2-hydroxy-ethyl]piperidine-1-carboxylic acid CAS Name: 4-[1-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-2-hydroxyethyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[1-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]-2-hydroxyethyl]piperidine-1-carboxylic acid Traditional Name: 4-[1-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-2-hydroxy-ethyl]piperidine-1-carboxylic acid Formula: C26H35ClN2O4 MolecularWeight: 475.0201

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(CO)C2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4)C(=O)O

Isomeric SMILES

C1CN(CCC1C(CO)C2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4)C(=O)O

InChI

InChI=1S/C26H35ClN2O4/c27-23-2-1-20(22(14-30)19-3-5-29(6-4-19)25(32)33)10-21(23)24(31)28-15-26-11-16-7-17(12-26)9-18(8-16)13-26/h1-2,10,16-19,22,30H,3-9,11-15H2,(H,28,31)(H,32,33)