tert-butyl N-[[2-(4-azanylcyclohexyl)carbonyl-1,3-dihydroisoindol-5-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[2-(4-azanylcyclohexyl)carbonyl-1,3-dihydroisoindol-5-yl]methyl]carbamate Openeye Name: tert-butyl N-[[2-(4-aminocyclohexanecarbonyl)isoindolin-5-yl]methyl]carbamate CAS Name: N-[[2-[(4-aminocyclohexyl)-oxomethyl]-1,3-dihydroisoindol-5-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[2-(4-aminocyclohexanecarbonyl)-1,3-dihydroisoindol-5-yl]methyl]carbamate Traditional Name: N-[[2-(4-aminocyclohexanecarbonyl)isoindolin-5-yl]methyl]carbamic acid tert-butyl ester Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC2=C(CN(C2)C(=O)C3CCC(CC3)N)C=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC2=C(CN(C2)C(=O)C3CCC(CC3)N)C=C1

InChI

InChI=1S/C21H31N3O3/c1-21(2,3)27-20(26)23-11-14-4-5-16-12-24(13-17(16)10-14)19(25)15-6-8-18(22)9-7-15/h4-5,10,15,18H,6-9,11-13,22H2,1-3H3,(H,23,26)