methyl (E)-2-(1,3-benzodioxol-5-yl)-3-(3,4-dichlorophenyl)carbonyl-4-phenyl-but-3-enoate

Systemtic Name: methyl (E)-2-(1,3-benzodioxol-5-yl)-3-(3,4-dichlorophenyl)carbonyl-4-phenyl-but-3-enoate Openeye Name: methyl (E)-2-(1,3-benzodioxol-5-yl)-3-(3,4-dichlorobenzoyl)-4-phenyl-but-3-enoate CAS Name: (E)-2-(1,3-benzodioxol-5-yl)-3-[(3,4-dichlorophenyl)-oxomethyl]-4-phenyl-3-butenoic acid methyl ester IUPAC Name: methyl (E)-2-(1,3-benzodioxol-5-yl)-3-(3,4-dichlorobenzoyl)-4-phenylbut-3-enoate Traditional Name: (E)-2-(1,3-benzodioxol-5-yl)-3-(3,4-dichlorobenzoyl)-4-phenyl-but-3-enoic acid methyl ester Formula: C25H18Cl2O5 MolecularWeight: 469.31342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC2=C(C=C1)OCO2)C(=CC3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

COC(=O)C(C1=CC2=C(C=C1)OCO2)/C(=C\C3=CC=CC=C3)/C(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H18Cl2O5/c1-30-25(29)23(16-8-10-21-22(13-16)32-14-31-21)18(11-15-5-3-2-4-6-15)24(28)17-7-9-19(26)20(27)12-17/h2-13,23H,14H2,1H3/b18-11+