(4-bromophenyl)-pyrrolidin-1-yl-methanone; tert-butyl 4-methylidenepiperidine-1-carboxylate

Systemtic Name: (4-bromophenyl)-pyrrolidin-1-yl-methanone; tert-butyl 4-methylidenepiperidine-1-carboxylate Openeye Name: (4-bromophenyl)-pyrrolidin-1-yl-methanone; tert-butyl 4-methylenepiperidine-1-carboxylate CAS Name: (4-bromophenyl)-(1-pyrrolidinyl)methanone; 4-methylene-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: (4-bromophenyl)-pyrrolidin-1-ylmethanone; tert-butyl 4-methylidenepiperidine-1-carboxylate Traditional Name: (4-bromophenyl)-pyrrolidino-methanone; 4-methylenepiperidine-1-carboxylic acid tert-butyl ester Formula: C22H31BrN2O3 MolecularWeight: 451.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=C)CC1.C1CCN(C1)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=C)CC1.C1CCN(C1)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C11H12BrNO.C11H19NO2/c12-10-5-3-9(4-6-10)11(14)13-7-1-2-8-13;1-9-5-7-12(8-6-9)10(13)14-11(2,3)4/h3-6H,1-2,7-8H2;1,5-8H2,2-4H3