methyl 3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[3-(1,3-dioxoisoindolin-2-yl)propanoylamino]-4-methyl-benzoate CAS Name: 3-[[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-4-methylbenzoate Traditional Name: 4-methyl-3-(3-phthalimidopropanoylamino)benzoic acid methyl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H18N2O5/c1-12-7-8-13(20(26)27-2)11-16(12)21-17(23)9-10-22-18(24)14-5-3-4-6-15(14)19(22)25/h3-8,11H,9-10H2,1-2H3,(H,21,23)