tert-butyl 4-[(6-chloranyl-3-oxidanylidene-1H-isoindol-2-yl)methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(6-chloranyl-3-oxidanylidene-1H-isoindol-2-yl)methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(5-chloro-1-oxo-isoindolin-2-yl)methyl]piperidine-1-carboxylate CAS Name: 4-[(6-chloro-3-oxo-1H-isoindol-2-yl)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(6-chloro-3-oxo-1H-isoindol-2-yl)methyl]piperidine-1-carboxylate Traditional Name: 4-[(5-chloro-1-keto-isoindolin-2-yl)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H25ClN2O3 MolecularWeight: 364.8664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2CC3=C(C2=O)C=CC(=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2CC3=C(C2=O)C=CC(=C3)Cl

InChI

InChI=1S/C19H25ClN2O3/c1-19(2,3)25-18(24)21-8-6-13(7-9-21)11-22-12-14-10-15(20)4-5-16(14)17(22)23/h4-5,10,13H,6-9,11-12H2,1-3H3