ethyl 4-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]benzoate

Systemtic Name: ethyl 4-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]benzoate Openeye Name: ethyl 4-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]benzoate CAS Name: 4-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzoate Traditional Name: 4-(4-phthalimidobutanoylamino)benzoic acid ethyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20N2O5/c1-2-28-21(27)14-9-11-15(12-10-14)22-18(24)8-5-13-23-19(25)16-6-3-4-7-17(16)20(23)26/h3-4,6-7,9-12H,2,5,8,13H2,1H3,(H,22,24)