dimethyl 2-[1-(4-bromophenyl)-2-(4-chlorophenyl)carbonyl-butyl]propanedioate

Systemtic Name: dimethyl 2-[1-(4-bromophenyl)-2-(4-chlorophenyl)carbonyl-butyl]propanedioate Openeye Name: dimethyl 2-[1-(4-bromophenyl)-2-(4-chlorobenzoyl)butyl]propanedioate CAS Name: 2-[1-(4-bromophenyl)-2-[(4-chlorophenyl)-oxomethyl]butyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[1-(4-bromophenyl)-2-(4-chlorobenzoyl)butyl]propanedioate Traditional Name: 2-[1-(4-bromophenyl)-2-(4-chlorobenzoyl)butyl]malonic acid dimethyl ester Formula: C22H22BrClO5 MolecularWeight: 481.76408

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=C(C=C1)Br)C(C(=O)OC)C(=O)OC)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(C(C1=CC=C(C=C1)Br)C(C(=O)OC)C(=O)OC)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H22BrClO5/c1-4-17(20(25)14-7-11-16(24)12-8-14)18(13-5-9-15(23)10-6-13)19(21(26)28-2)22(27)29-3/h5-12,17-19H,4H2,1-3H3