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

Systemtic Name: tert-butyl 7-bromanyl-2-[3-(phenylcarbonyl)phenyl]heptanoate Openeye Name: tert-butyl 2-(3-benzoylphenyl)-7-bromo-heptanoate CAS Name: 2-(3-benzoylphenyl)-7-bromoheptanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-benzoylphenyl)-7-bromoheptanoate Traditional Name: 2-(3-benzoylphenyl)-7-bromo-enanthic acid tert-butyl ester Formula: C24H29BrO3 MolecularWeight: 445.38926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29BrO3/c1-24(2,3)28-23(27)21(15-8-5-9-16-25)19-13-10-14-20(17-19)22(26)18-11-6-4-7-12-18/h4,6-7,10-14,17,21H,5,8-9,15-16H2,1-3H3