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

Systemtic Name: tert-butyl N-[[2-(diphenylcarbamoyl)-1,3-dihydroisoindol-5-yl]methyl]carbamate Openeye Name: tert-butyl N-[[2-(diphenylcarbamoyl)isoindolin-5-yl]methyl]carbamate CAS Name: N-[[2-[oxo-(N-phenylanilino)methyl]-1,3-dihydroisoindol-5-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[2-(diphenylcarbamoyl)-1,3-dihydroisoindol-5-yl]methyl]carbamate Traditional Name: N-[[2-(diphenylcarbamoyl)isoindolin-5-yl]methyl]carbamic acid tert-butyl ester Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC2=C(CN(C2)C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)C=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC2=C(CN(C2)C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)C=C1

InChI

InChI=1S/C27H29N3O3/c1-27(2,3)33-25(31)28-17-20-14-15-21-18-29(19-22(21)16-20)26(32)30(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-16H,17-19H2,1-3H3,(H,28,31)