4-[[3-[2-(1-adamantyl)ethylcarbamoyl]-4-chloranyl-phenyl]methyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[[3-[2-(1-adamantyl)ethylcarbamoyl]-4-chloranyl-phenyl]methyl]piperazine-1-carboxylic acid Openeye Name: 4-[[3-[2-(1-adamantyl)ethylcarbamoyl]-4-chloro-phenyl]methyl]piperazine-1-carboxylic acid CAS Name: 4-[[3-[[2-(1-adamantyl)ethylamino]-oxomethyl]-4-chlorophenyl]methyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[[3-[2-(1-adamantyl)ethylcarbamoyl]-4-chlorophenyl]methyl]piperazine-1-carboxylic acid Traditional Name: 4-[3-[2-(1-adamantyl)ethylcarbamoyl]-4-chloro-benzyl]piperazine-1-carboxylic acid Formula: C25H34ClN3O3 MolecularWeight: 460.00876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=C(C=C2)Cl)C(=O)NCCC34CC5CC(C3)CC(C5)C4)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=C(C=C2)Cl)C(=O)NCCC34CC5CC(C3)CC(C5)C4)C(=O)O

InChI

InChI=1S/C25H34ClN3O3/c26-22-2-1-17(16-28-5-7-29(8-6-28)24(31)32)12-21(22)23(30)27-4-3-25-13-18-9-19(14-25)11-20(10-18)15-25/h1-2,12,18-20H,3-11,13-16H2,(H,27,30)(H,31,32)