methyl 2-[1-(3,4-dichlorophenyl)but-3-enyl]-3-methyl-1-oxidanylidene-3H-isoindole-5-carboxylate

Systemtic Name: methyl 2-[1-(3,4-dichlorophenyl)but-3-enyl]-3-methyl-1-oxidanylidene-3H-isoindole-5-carboxylate Openeye Name: methyl 2-[1-(3,4-dichlorophenyl)but-3-enyl]-3-methyl-1-oxo-isoindoline-5-carboxylate CAS Name: 2-[1-(3,4-dichlorophenyl)but-3-enyl]-3-methyl-1-oxo-3H-isoindole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[1-(3,4-dichlorophenyl)but-3-enyl]-3-methyl-1-oxo-3H-isoindole-5-carboxylate Traditional Name: 2-[1-(3,4-dichlorophenyl)but-3-enyl]-1-keto-3-methyl-isoindoline-5-carboxylic acid methyl ester Formula: C21H19Cl2NO3 MolecularWeight: 404.28646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2)C(=O)OC)C(=O)N1C(CC=C)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1C2=C(C=CC(=C2)C(=O)OC)C(=O)N1C(CC=C)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H19Cl2NO3/c1-4-5-19(13-7-9-17(22)18(23)11-13)24-12(2)16-10-14(21(26)27-3)6-8-15(16)20(24)25/h4,6-12,19H,1,5H2,2-3H3