(3,4-dimethylphenyl) 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (3,4-dimethylphenyl) 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (3,4-dimethylphenyl) 2-(3-methoxypropyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methoxypropyl)-1,3-dioxo-5-isoindolecarboxylic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carboxylic acid (3,4-dimethylphenyl) ester Formula: C21H21NO5 MolecularWeight: 367.39514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCOC)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCOC)C

InChI

InChI=1S/C21H21NO5/c1-13-5-7-16(11-14(13)2)27-21(25)15-6-8-17-18(12-15)20(24)22(19(17)23)9-4-10-26-3/h5-8,11-12H,4,9-10H2,1-3H3