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

Systemtic Name: 4-[[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]methylamino]piperidine-1-carboxylic acid Openeye Name: 4-[[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]methylamino]piperidine-1-carboxylic acid CAS Name: 4-[[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]methylamino]-1-piperidinecarboxylic acid IUPAC Name: 4-[[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]methylamino]piperidine-1-carboxylic acid Traditional Name: 4-[[3-(1-adamantylmethylcarbamoyl)-4-chloro-benzyl]amino]piperidine-1-carboxylic acid Formula: C25H34ClN3O3 MolecularWeight: 460.00876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCC2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4)C(=O)O

Isomeric SMILES

C1CN(CCC1NCC2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4)C(=O)O

InChI

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