tert-butyl 4-[4-(4-bromophenyl)carbonylpiperidin-1-yl]-4-methyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(4-bromophenyl)carbonylpiperidin-1-yl]-4-methyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-bromobenzoyl)-1-piperidyl]-4-methyl-piperidine-1-carboxylate CAS Name: 4-[4-[(4-bromophenyl)-oxomethyl]-1-piperidinyl]-4-methyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-bromobenzoyl)piperidin-1-yl]-4-methylpiperidine-1-carboxylate Traditional Name: 4-[4-(4-bromobenzoyl)piperidino]-4-methyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C23H33BrN2O3 MolecularWeight: 465.42372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)C(=O)OC(C)(C)C)N2CCC(CC2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1(CCN(CC1)C(=O)OC(C)(C)C)N2CCC(CC2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H33BrN2O3/c1-22(2,3)29-21(28)25-15-11-23(4,12-16-25)26-13-9-18(10-14-26)20(27)17-5-7-19(24)8-6-17/h5-8,18H,9-16H2,1-4H3