tert-butyl 4-[(7-bromanyl-3-oxidanylidene-1H-isoindol-2-yl)methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(7-bromanyl-3-oxidanylidene-1H-isoindol-2-yl)methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(4-bromo-1-oxo-isoindolin-2-yl)methyl]piperidine-1-carboxylate CAS Name: 4-[(7-bromo-3-oxo-1H-isoindol-2-yl)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(7-bromo-3-oxo-1H-isoindol-2-yl)methyl]piperidine-1-carboxylate Traditional Name: 4-[(4-bromo-1-keto-isoindolin-2-yl)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H25BrN2O3 MolecularWeight: 409.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2CC3=C(C2=O)C=CC=C3Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2CC3=C(C2=O)C=CC=C3Br

InChI

InChI=1S/C19H25BrN2O3/c1-19(2,3)25-18(24)21-9-7-13(8-10-21)11-22-12-15-14(17(22)23)5-4-6-16(15)20/h4-6,13H,7-12H2,1-3H3