ethyl (E)-7-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-butyl-hept-2-enoate

Systemtic Name: ethyl (E)-7-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-butyl-hept-2-enoate Openeye Name: ethyl (E)-2-butyl-7-(1,3-dioxoisoindolin-2-yl)hept-2-enoate CAS Name: (E)-2-butyl-7-(1,3-dioxo-2-isoindolyl)-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-2-butyl-7-(1,3-dioxoisoindol-2-yl)hept-2-enoate Traditional Name: (E)-2-butyl-7-phthalimido-hept-2-enoic acid ethyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CCCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)OCC

Isomeric SMILES

CCCC/C(=C\CCCCN1C(=O)C2=CC=CC=C2C1=O)/C(=O)OCC

InChI

InChI=1S/C21H27NO4/c1-3-5-11-16(21(25)26-4-2)12-7-6-10-15-22-19(23)17-13-8-9-14-18(17)20(22)24/h8-9,12-14H,3-7,10-11,15H2,1-2H3/b16-12+