3-[1-(3,4-dichlorophenyl)but-3-enyl]-6-ethoxy-3-methyl-2H-isoindol-1-one

Systemtic Name: 3-[1-(3,4-dichlorophenyl)but-3-enyl]-6-ethoxy-3-methyl-2H-isoindol-1-one Openeye Name: 3-[1-(3,4-dichlorophenyl)but-3-enyl]-6-ethoxy-3-methyl-isoindolin-1-one CAS Name: 3-[1-(3,4-dichlorophenyl)but-3-enyl]-6-ethoxy-3-methyl-2H-isoindol-1-one IUPAC Name: 3-[1-(3,4-dichlorophenyl)but-3-enyl]-6-ethoxy-3-methyl-2H-isoindol-1-one Traditional Name: 3-[1-(3,4-dichlorophenyl)but-3-enyl]-6-ethoxy-3-methyl-isoindolin-1-one Formula: C21H21Cl2NO2 MolecularWeight: 390.30294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(NC2=O)(C)C(CC=C)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)C(NC2=O)(C)C(CC=C)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H21Cl2NO2/c1-4-6-16(13-7-10-18(22)19(23)11-13)21(3)17-9-8-14(26-5-2)12-15(17)20(25)24-21/h4,7-12,16H,1,5-6H2,2-3H3,(H,24,25)