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

Systemtic Name: 4-[[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]methylidene]piperidine-1-carboxylic acid Openeye Name: 4-[[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]methylene]piperidine-1-carboxylic acid CAS Name: 4-[[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]methylidene]-1-piperidinecarboxylic acid IUPAC Name: 4-[[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]methylidene]piperidine-1-carboxylic acid Traditional Name: 4-[3-(1-adamantylmethylcarbamoyl)-4-chloro-benzylidene]piperidine-1-carboxylic acid Formula: C25H31ClN2O3 MolecularWeight: 442.97824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=CC2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4)C(=O)O

Isomeric SMILES

C1CN(CCC1=CC2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4)C(=O)O

InChI

InChI=1S/C25H31ClN2O3/c26-22-2-1-17(7-16-3-5-28(6-4-16)24(30)31)11-21(22)23(29)27-15-25-12-18-8-19(13-25)10-20(9-18)14-25/h1-2,7,11,18-20H,3-6,8-10,12-15H2,(H,27,29)(H,30,31)