methyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]oxy-2-(2-phenylethanoylamino)butanoate

Systemtic Name: methyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]oxy-2-(2-phenylethanoylamino)butanoate Openeye Name: methyl 4-(1,3-dioxoisoindolin-2-yl)oxy-2-[(2-phenylacetyl)amino]butanoate CAS Name: 4-[(1,3-dioxo-2-isoindolyl)oxy]-2-[(1-oxo-2-phenylethyl)amino]butanoic acid methyl ester IUPAC Name: methyl 4-(1,3-dioxoisoindol-2-yl)oxy-2-[(2-phenylacetyl)amino]butanoate Traditional Name: 2-[(2-phenylacetyl)amino]-4-phthalimidooxy-butyric acid methyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCON1C(=O)C2=CC=CC=C2C1=O)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCON1C(=O)C2=CC=CC=C2C1=O)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O6/c1-28-21(27)17(22-18(24)13-14-7-3-2-4-8-14)11-12-29-23-19(25)15-9-5-6-10-16(15)20(23)26/h2-10,17H,11-13H2,1H3,(H,22,24)