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

Systemtic Name: tert-butyl 4-[1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindol-5-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C23H29N3O6 MolecularWeight: 443.49286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O6/c1-23(2,3)32-22(30)25-10-8-24(9-11-25)19(27)15-6-7-17-18(13-15)21(29)26(20(17)28)14-16-5-4-12-31-16/h6-7,13,16H,4-5,8-12,14H2,1-3H3