[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H19N3O6 MolecularWeight: 373.35996

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)CCCN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)CCCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C18H19N3O6/c1-2-9-19-18(26)20-14(22)11-27-15(23)8-5-10-21-16(24)12-6-3-4-7-13(12)17(21)25/h2-4,6-7H,1,5,8-11H2,(H2,19,20,22,26)