[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylamino]phenyl] pentanoate

Systemtic Name: [4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylamino]phenyl] pentanoate Openeye Name: [4-[(1,3-dioxoisoindolin-2-yl)methylamino]phenyl] pentanoate CAS Name: pentanoic acid [4-[(1,3-dioxo-2-isoindolyl)methylamino]phenyl] ester IUPAC Name: [4-[(1,3-dioxoisoindol-2-yl)methylamino]phenyl] pentanoate Traditional Name: valeric acid [4-(phthalimidomethylamino)phenyl] ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=CC=C(C=C1)NCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCC(=O)OC1=CC=C(C=C1)NCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H20N2O4/c1-2-3-8-18(23)26-15-11-9-14(10-12-15)21-13-22-19(24)16-6-4-5-7-17(16)20(22)25/h4-7,9-12,21H,2-3,8,13H2,1H3