tert-butyl 4-[bromanyl-(4-morpholin-4-ylcarbonylphenyl)methylidene]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[bromanyl-(4-morpholin-4-ylcarbonylphenyl)methylidene]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[bromo-[4-(morpholine-4-carbonyl)phenyl]methylene]piperidine-1-carboxylate CAS Name: 4-[bromo-[4-[4-morpholinyl(oxo)methyl]phenyl]methylidene]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[bromo-[4-(morpholine-4-carbonyl)phenyl]methylidene]piperidine-1-carboxylate Traditional Name: 4-[bromo-[4-(morpholine-4-carbonyl)phenyl]methylene]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H29BrN2O4 MolecularWeight: 465.38066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=C(C2=CC=C(C=C2)C(=O)N3CCOCC3)Br)CC1

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=C(C2=CC=C(C=C2)C(=O)N3CCOCC3)Br)CC1

InChI

InChI=1S/C22H29BrN2O4/c1-22(2,3)29-21(27)25-10-8-17(9-11-25)19(23)16-4-6-18(7-5-16)20(26)24-12-14-28-15-13-24/h4-7H,8-15H2,1-3H3