tert-butyl 7-bromanyl-2-methyl-2-[3-(phenylcarbonyl)phenyl]heptanoate

Systemtic Name: tert-butyl 7-bromanyl-2-methyl-2-[3-(phenylcarbonyl)phenyl]heptanoate Openeye Name: tert-butyl 2-(3-benzoylphenyl)-7-bromo-2-methyl-heptanoate CAS Name: 2-(3-benzoylphenyl)-7-bromo-2-methylheptanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-benzoylphenyl)-7-bromo-2-methylheptanoate Traditional Name: 2-(3-benzoylphenyl)-7-bromo-2-methyl-enanthic acid tert-butyl ester Formula: C25H31BrO3 MolecularWeight: 459.41584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C)(CCCCCBr)C1=CC=CC(=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C(C)(CCCCCBr)C1=CC=CC(=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C25H31BrO3/c1-24(2,3)29-23(28)25(4,16-9-6-10-17-26)21-15-11-14-20(18-21)22(27)19-12-7-5-8-13-19/h5,7-8,11-15,18H,6,9-10,16-17H2,1-4H3