tert-butyl N-[4-[1-(tert-butylcarbamoyl)-3-oxidanylidene-1H-isoindol-2-yl]butyl]carbamate

Systemtic Name: tert-butyl N-[4-[1-(tert-butylcarbamoyl)-3-oxidanylidene-1H-isoindol-2-yl]butyl]carbamate Openeye Name: tert-butyl N-[4-[1-(tert-butylcarbamoyl)-3-oxo-isoindolin-2-yl]butyl]carbamate CAS Name: N-[4-[1-[(tert-butylamino)-oxomethyl]-3-oxo-1H-isoindol-2-yl]butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[1-(tert-butylcarbamoyl)-3-oxo-1H-isoindol-2-yl]butyl]carbamate Traditional Name: N-[4-[1-(tert-butylcarbamoyl)-3-keto-isoindolin-2-yl]butyl]carbamic acid tert-butyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1C2=CC=CC=C2C(=O)N1CCCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)NC(=O)C1C2=CC=CC=C2C(=O)N1CCCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C22H33N3O4/c1-21(2,3)24-18(26)17-15-11-7-8-12-16(15)19(27)25(17)14-10-9-13-23-20(28)29-22(4,5)6/h7-8,11-12,17H,9-10,13-14H2,1-6H3,(H,23,28)(H,24,26)