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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCN(CC1)C(=O)O)(C2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

CC(C1CCN(CC1)C(=O)O)(C2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4)O

InChI

InChI=1S/C26H35ClN2O4/c1-25(33,19-4-6-29(7-5-19)24(31)32)20-2-3-22(27)21(11-20)23(30)28-15-26-12-16-8-17(13-26)10-18(9-16)14-26/h2-3,11,16-19,33H,4-10,12-15H2,1H3,(H,28,30)(H,31,32)