(phenylmethyl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: (phenylmethyl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(3,4-dimethoxyphenyl)propanoate Openeye Name: benzyl 2-(3,4-dimethoxyphenyl)-3-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 2-(3,4-dimethoxyphenyl)-3-(1,3-dioxo-2-isoindolyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 2-(3,4-dimethoxyphenyl)-3-phthalimido-propionic acid benzyl ester Formula: C26H23NO6 MolecularWeight: 445.46392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C26H23NO6/c1-31-22-13-12-18(14-23(22)32-2)21(26(30)33-16-17-8-4-3-5-9-17)15-27-24(28)19-10-6-7-11-20(19)25(27)29/h3-14,21H,15-16H2,1-2H3