(2-oxidanylidene-2-phenylazanyl-ethyl) 1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(2-oxolanylmethyl)-5-isoindolecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(tetrahydrofurfuryl)isoindoline-5-carboxylic acid (2-anilino-2-keto-ethyl) ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H20N2O6/c25-19(23-15-5-2-1-3-6-15)13-30-22(28)14-8-9-17-18(11-14)21(27)24(20(17)26)12-16-7-4-10-29-16/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,23,25)