prop-2-enyl 3-[3-(4-bromanylphenoxy)phenyl]-2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: prop-2-enyl 3-[3-(4-bromanylphenoxy)phenyl]-2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: allyl 3-[3-(4-bromophenoxy)phenyl]-2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: 3-[3-(4-bromophenoxy)phenyl]-2-(4-chlorophenyl)-3-methylbutanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-[3-(4-bromophenoxy)phenyl]-2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: 3-[3-(4-bromophenoxy)phenyl]-2-(4-chlorophenyl)-3-methyl-butyric acid allyl ester Formula: C26H24BrClO3 MolecularWeight: 499.82396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=CC=C1)OC2=CC=C(C=C2)Br)C(C3=CC=C(C=C3)Cl)C(=O)OCC=C

Isomeric SMILES

CC(C)(C1=CC(=CC=C1)OC2=CC=C(C=C2)Br)C(C3=CC=C(C=C3)Cl)C(=O)OCC=C

InChI

InChI=1S/C26H24BrClO3/c1-4-16-30-25(29)24(18-8-12-21(28)13-9-18)26(2,3)19-6-5-7-23(17-19)31-22-14-10-20(27)11-15-22/h4-15,17,24H,1,16H2,2-3H3