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

Systemtic Name: O1-tert-butyl O2-(phenylmethyl) 1-methyl-3H-isoindole-1,2-dicarboxylate Openeye Name: O2-benzyl O1-tert-butyl 1-methylisoindoline-1,2-dicarboxylate CAS Name: 1-methyl-3H-isoindole-1,2-dicarboxylic acid O1-tert-butyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 1-O-tert-butyl 1-methyl-3H-isoindole-1,2-dicarboxylate Traditional Name: 1-methylisoindoline-1,2-dicarboxylic acid O2-benzyl ester O1-tert-butyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2CN1C(=O)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1(C2=CC=CC=C2CN1C(=O)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H25NO4/c1-21(2,3)27-19(24)22(4)18-13-9-8-12-17(18)14-23(22)20(25)26-15-16-10-6-5-7-11-16/h5-13H,14-15H2,1-4H3