dimethyl 2-[(1R,2R)-1-(4-bromophenyl)-3-(4-ethylphenyl)-3-oxidanylidene-2-phenyl-propyl]propanedioate

Systemtic Name: dimethyl 2-[(1R,2R)-1-(4-bromophenyl)-3-(4-ethylphenyl)-3-oxidanylidene-2-phenyl-propyl]propanedioate Openeye Name: dimethyl 2-[(1R,2R)-1-(4-bromophenyl)-3-(4-ethylphenyl)-3-oxo-2-phenyl-propyl]propanedioate CAS Name: 2-[(1R,2R)-1-(4-bromophenyl)-3-(4-ethylphenyl)-3-oxo-2-phenylpropyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1R,2R)-1-(4-bromophenyl)-3-(4-ethylphenyl)-3-oxo-2-phenylpropyl]propanedioate Traditional Name: 2-[(1R,2R)-1-(4-bromophenyl)-3-(4-ethylphenyl)-3-keto-2-phenyl-propyl]malonic acid dimethyl ester Formula: C28H27BrO5 MolecularWeight: 523.41498

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)C(C3=CC=C(C=C3)Br)C(C(=O)OC)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@@H](C2=CC=CC=C2)[C@@H](C3=CC=C(C=C3)Br)C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C28H27BrO5/c1-4-18-10-12-21(13-11-18)26(30)24(19-8-6-5-7-9-19)23(20-14-16-22(29)17-15-20)25(27(31)33-2)28(32)34-3/h5-17,23-25H,4H2,1-3H3/t23-,24+/m1/s1