O1-tert-butyl O2-(phenylmethyl) 1-phenyl-3H-isoindole-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-(phenylmethyl) 1-phenyl-3H-isoindole-1,2-dicarboxylate Openeye Name: O2-benzyl O1-tert-butyl 1-phenylisoindoline-1,2-dicarboxylate CAS Name: 1-phenyl-3H-isoindole-1,2-dicarboxylic acid O1-tert-butyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 1-O-tert-butyl 1-phenyl-3H-isoindole-1,2-dicarboxylate Traditional Name: 1-phenylisoindoline-1,2-dicarboxylic acid O2-benzyl ester O1-tert-butyl ester Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(C2=CC=CC=C2CN1C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1(C2=CC=CC=C2CN1C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27NO4/c1-26(2,3)32-24(29)27(22-15-8-5-9-16-22)23-17-11-10-14-21(23)18-28(27)25(30)31-19-20-12-6-4-7-13-20/h4-17H,18-19H2,1-3H3