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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid [2-keto-2-(propargylamino)ethyl] ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5/c1-2-9-18-14(20)11-24-15(21)8-5-10-19-16(22)12-6-3-4-7-13(12)17(19)23/h1,3-4,6-7H,5,8-11H2,(H,18,20)