[2-(2-adamantylamino)-2-oxidanylidene-ethyl] 1-(4-bromophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] 1-(4-bromophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] 1-(4-bromobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-bromophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] 1-(4-bromobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-bromobenzoyl)isonipecotic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C25H31BrN2O4 MolecularWeight: 503.42864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2C3CC4CC(C3)CC2C4)C(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2C3CC4CC(C3)CC2C4)C(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C25H31BrN2O4/c26-21-3-1-17(2-4-21)24(30)28-7-5-18(6-8-28)25(31)32-14-22(29)27-23-19-10-15-9-16(12-19)13-20(23)11-15/h1-4,15-16,18-20,23H,5-14H2,(H,27,29)