tert-butyl 5,8-bis(4-ethoxy-4-oxidanylidene-butoxy)-4,9-dihydro-2H-benzo[f]isoindole-3-carboxylate

Systemtic Name: tert-butyl 5,8-bis(4-ethoxy-4-oxidanylidene-butoxy)-4,9-dihydro-2H-benzo[f]isoindole-3-carboxylate Openeye Name: tert-butyl 5,8-bis(4-ethoxy-4-oxo-butoxy)-4,9-dihydro-2H-benzo[f]isoindole-3-carboxylate CAS Name: 5,8-bis(4-ethoxy-4-oxobutoxy)-4,9-dihydro-2H-benzo[f]isoindole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5,8-bis(4-ethoxy-4-oxobutoxy)-4,9-dihydro-2H-benzo[f]isoindole-3-carboxylate Traditional Name: 5,8-bis(4-ethoxy-4-keto-butoxy)-4,9-dihydro-2H-benz[f]isoindole-3-carboxylic acid tert-butyl ester Formula: C29H39NO8 MolecularWeight: 529.62186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=C2CC3=CNC(=C3CC2=C(C=C1)OCCCC(=O)OCC)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CCCOC1=C2CC3=CNC(=C3CC2=C(C=C1)OCCCC(=O)OCC)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H39NO8/c1-6-34-25(31)10-8-14-36-23-12-13-24(37-15-9-11-26(32)35-7-2)22-17-20-19(16-21(22)23)18-30-27(20)28(33)38-29(3,4)5/h12-13,18,30H,6-11,14-17H2,1-5H3