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

Systemtic Name: tert-butyl 4-[bromanyl-(4-piperidin-1-ylcarbonylphenyl)methylidene]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[bromo-[4-(piperidine-1-carbonyl)phenyl]methylene]piperidine-1-carboxylate CAS Name: 4-[bromo-[4-[oxo(1-piperidinyl)methyl]phenyl]methylidene]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[bromo-[4-(piperidine-1-carbonyl)phenyl]methylidene]piperidine-1-carboxylate Traditional Name: 4-[bromo-[4-(piperidine-1-carbonyl)phenyl]methylene]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H31BrN2O3 MolecularWeight: 463.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=C(C2=CC=C(C=C2)C(=O)N3CCCCC3)Br)CC1

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=C(C2=CC=C(C=C2)C(=O)N3CCCCC3)Br)CC1

InChI

InChI=1S/C23H31BrN2O3/c1-23(2,3)29-22(28)26-15-11-18(12-16-26)20(24)17-7-9-19(10-8-17)21(27)25-13-5-4-6-14-25/h7-10H,4-6,11-16H2,1-3H3