methyl 5-[[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[3-(1,3-dioxoisoindolin-2-yl)propanoylamino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-2-methoxybenzoate Traditional Name: 2-methoxy-5-[(3-phthalimidopropanoylamino)methyl]benzoic acid methyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCN2C(=O)C3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCN2C(=O)C3=CC=CC=C3C2=O)C(=O)OC

InChI

InChI=1S/C21H20N2O6/c1-28-17-8-7-13(11-16(17)21(27)29-2)12-22-18(24)9-10-23-19(25)14-5-3-4-6-15(14)20(23)26/h3-8,11H,9-10,12H2,1-2H3,(H,22,24)