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

Systemtic Name: tert-butyl 4-[bromanyl-(4-pyrrolidin-1-ylcarbonylphenyl)methylidene]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[bromo-[4-(pyrrolidine-1-carbonyl)phenyl]methylene]piperidine-1-carboxylate CAS Name: 4-[bromo-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylidene]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[bromo-[4-(pyrrolidine-1-carbonyl)phenyl]methylidene]piperidine-1-carboxylate Traditional Name: 4-[bromo-[4-(pyrrolidine-1-carbonyl)phenyl]methylene]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H29BrN2O3 MolecularWeight: 449.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=C(C2=CC=C(C=C2)C(=O)N3CCCC3)Br)CC1

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=C(C2=CC=C(C=C2)C(=O)N3CCCC3)Br)CC1

InChI

InChI=1S/C22H29BrN2O3/c1-22(2,3)28-21(27)25-14-10-17(11-15-25)19(23)16-6-8-18(9-7-16)20(26)24-12-4-5-13-24/h6-9H,4-5,10-15H2,1-3H3