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

Systemtic Name: ethyl 3-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]benzoate Openeye Name: ethyl 3-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]benzoate CAS Name: 3-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzoate Traditional Name: 3-(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(=CC=C1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

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

InChI

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