ethyl 4-[1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindol-5-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindol-5-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)isoindoline-5-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1,3-dioxo-2-(2-oxolanylmethyl)-5-isoindolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1,3-diketo-2-(tetrahydrofurfuryl)isoindoline-5-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4

InChI

InChI=1S/C21H25N3O6/c1-2-29-21(28)23-9-7-22(8-10-23)18(25)14-5-6-16-17(12-14)20(27)24(19(16)26)13-15-4-3-11-30-15/h5-6,12,15H,2-4,7-11,13H2,1H3