tert-butyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]oxy-2-(pent-4-enoylamino)butanoate

Systemtic Name: tert-butyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]oxy-2-(pent-4-enoylamino)butanoate Openeye Name: tert-butyl 4-(1,3-dioxoisoindolin-2-yl)oxy-2-(pent-4-enoylamino)butanoate CAS Name: 4-[(1,3-dioxo-2-isoindolyl)oxy]-2-(1-oxopent-4-enylamino)butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1,3-dioxoisoindol-2-yl)oxy-2-(pent-4-enoylamino)butanoate Traditional Name: 2-(pent-4-enoylamino)-4-phthalimidooxy-butyric acid tert-butyl ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCON1C(=O)C2=CC=CC=C2C1=O)NC(=O)CCC=C

Isomeric SMILES

CC(C)(C)OC(=O)C(CCON1C(=O)C2=CC=CC=C2C1=O)NC(=O)CCC=C

InChI

InChI=1S/C21H26N2O6/c1-5-6-11-17(24)22-16(20(27)29-21(2,3)4)12-13-28-23-18(25)14-9-7-8-10-15(14)19(23)26/h5,7-10,16H,1,6,11-13H2,2-4H3,(H,22,24)