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

Systemtic Name: 4-[[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]-oxidanyl-methyl]piperidine-1-carboxylic acid Openeye Name: 4-[[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-hydroxy-methyl]piperidine-1-carboxylic acid CAS Name: 4-[[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-hydroxymethyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]-hydroxymethyl]piperidine-1-carboxylic acid Traditional Name: 4-[[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-hydroxy-methyl]piperidine-1-carboxylic acid Formula: C25H33ClN2O4 MolecularWeight: 460.99352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33ClN2O4/c26-21-2-1-19(22(29)18-3-5-28(6-4-18)24(31)32)10-20(21)23(30)27-14-25-11-15-7-16(12-25)9-17(8-15)13-25/h1-2,10,15-18,22,29H,3-9,11-14H2,(H,27,30)(H,31,32)