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

Systemtic Name: tert-butyl N-[[2-(cyclohexylcarbamoyl)-1,3-dihydroisoindol-5-yl]methyl]carbamate Openeye Name: tert-butyl N-[[2-(cyclohexylcarbamoyl)isoindolin-5-yl]methyl]carbamate CAS Name: N-[[2-[(cyclohexylamino)-oxomethyl]-1,3-dihydroisoindol-5-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[2-(cyclohexylcarbamoyl)-1,3-dihydroisoindol-5-yl]methyl]carbamate Traditional Name: N-[[2-(cyclohexylcarbamoyl)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)NC3CCCCC3)C=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC2=C(CN(C2)C(=O)NC3CCCCC3)C=C1

InChI

InChI=1S/C21H31N3O3/c1-21(2,3)27-20(26)22-12-15-9-10-16-13-24(14-17(16)11-15)19(25)23-18-7-5-4-6-8-18/h9-11,18H,4-8,12-14H2,1-3H3,(H,22,26)(H,23,25)