[4-(cyanomethyl)phenyl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: [4-(cyanomethyl)phenyl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: [4-(cyanomethyl)phenyl] 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid [4-(cyanomethyl)phenyl] ester Formula: C20H16N2O4 MolecularWeight: 348.35204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)OC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)OC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C20H16N2O4/c21-12-11-14-7-9-15(10-8-14)26-18(23)6-3-13-22-19(24)16-4-1-2-5-17(16)20(22)25/h1-2,4-5,7-10H,3,6,11,13H2