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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 4-(1,3-dioxoisoindolin-2-yl)benzoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)benzoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-phthalimidobenzoic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20N2O5/c1-2-3-12-22-18(24)13-28-21(27)14-8-10-15(11-9-14)23-19(25)16-6-4-5-7-17(16)20(23)26/h4-11H,2-3,12-13H2,1H3,(H,22,24)