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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid 2-phthalimidoethyl ester Formula: C21H21NO6 MolecularWeight: 383.39454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C21H21NO6/c1-26-17-9-7-14(13-18(17)27-2)8-10-19(23)28-12-11-22-20(24)15-5-3-4-6-16(15)21(22)25/h3-7,9,13H,8,10-12H2,1-2H3