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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C(=O)OC)C(=O)N1)C(CC=C)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C(=O)OC)C(=O)N1)C(CC=C)C3=CC(=C(C=C3)Cl)Cl

InChI

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