tert-butyl 5-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]-2-heptyl-4-oxidanylidene-1,5-diazonane-1-carboxylate

Systemtic Name: tert-butyl 5-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]-2-heptyl-4-oxidanylidene-1,5-diazonane-1-carboxylate Openeye Name: tert-butyl 5-[3-(1,3-dioxoisoindolin-2-yl)propyl]-2-heptyl-4-oxo-1,5-diazonane-1-carboxylate CAS Name: 5-[3-(1,3-dioxo-2-isoindolyl)propyl]-2-heptyl-4-oxo-1,5-diazonane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-heptyl-4-oxo-1,5-diazonane-1-carboxylate Traditional Name: 2-heptyl-4-keto-5-(3-phthalimidopropyl)-1,5-diazonane-1-carboxylic acid tert-butyl ester Formula: C30H45N3O5 MolecularWeight: 527.6954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CC(=O)N(CCCCN1C(=O)OC(C)(C)C)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCCCC1CC(=O)N(CCCCN1C(=O)OC(C)(C)C)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C30H45N3O5/c1-5-6-7-8-9-15-23-22-26(34)31(18-12-13-20-32(23)29(37)38-30(2,3)4)19-14-21-33-27(35)24-16-10-11-17-25(24)28(33)36/h10-11,16-17,23H,5-9,12-15,18-22H2,1-4H3