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

Systemtic Name: (phenylmethyl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(4-methoxyphenyl)propanoate Openeye Name: benzyl 3-(1,3-dioxoisoindolin-2-yl)-2-(4-methoxyphenyl)propanoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)-2-(4-methoxyphenyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1,3-dioxoisoindol-2-yl)-2-(4-methoxyphenyl)propanoate Traditional Name: 2-(4-methoxyphenyl)-3-phthalimido-propionic acid benzyl ester Formula: C25H21NO5 MolecularWeight: 415.43794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21NO5/c1-30-19-13-11-18(12-14-19)22(25(29)31-16-17-7-3-2-4-8-17)15-26-23(27)20-9-5-6-10-21(20)24(26)28/h2-14,22H,15-16H2,1H3