[3-[1,3-bis(oxidanylidene)-5-(oxolan-2-ylmethylcarbamoyl)isoindol-2-yl]phenyl] ethanoate

Systemtic Name: [3-[1,3-bis(oxidanylidene)-5-(oxolan-2-ylmethylcarbamoyl)isoindol-2-yl]phenyl] ethanoate Openeye Name: [3-[1,3-dioxo-5-(tetrahydrofuran-2-ylmethylcarbamoyl)isoindolin-2-yl]phenyl] acetate CAS Name: acetic acid [3-[1,3-dioxo-5-[oxo-(2-oxolanylmethylamino)methyl]-2-isoindolyl]phenyl] ester IUPAC Name: [3-[1,3-dioxo-5-(oxolan-2-ylmethylcarbamoyl)isoindol-2-yl]phenyl] acetate Traditional Name: acetic acid [3-[1,3-diketo-5-(tetrahydrofurfurylcarbamoyl)isoindolin-2-yl]phenyl] ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC4CCCO4

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC4CCCO4

InChI

InChI=1S/C22H20N2O6/c1-13(25)30-16-5-2-4-15(11-16)24-21(27)18-8-7-14(10-19(18)22(24)28)20(26)23-12-17-6-3-9-29-17/h2,4-5,7-8,10-11,17H,3,6,9,12H2,1H3,(H,23,26)