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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5/c1-13-6-4-7-18(14(13)2)27-21(25)15-8-9-16-17(12-15)20(24)22(19(16)23)10-5-11-26-3/h4,6-9,12H,5,10-11H2,1-3H3