(3,4-dimethylphenyl) 1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate

Systemtic Name: (3,4-dimethylphenyl) 1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate Openeye Name: (3,4-dimethylphenyl) 1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(2-oxolanylmethyl)-5-isoindolecarboxylic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(tetrahydrofurfuryl)isoindoline-5-carboxylic acid (3,4-dimethylphenyl) ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4)C

InChI

InChI=1S/C22H21NO5/c1-13-5-7-16(10-14(13)2)28-22(26)15-6-8-18-19(11-15)21(25)23(20(18)24)12-17-4-3-9-27-17/h5-8,10-11,17H,3-4,9,12H2,1-2H3