methyl 7-bromanyl-3-ethyl-3-phenyl-heptanoate

Systemtic Name: methyl 7-bromanyl-3-ethyl-3-phenyl-heptanoate Openeye Name: methyl 7-bromo-3-ethyl-3-phenyl-heptanoate CAS Name: 7-bromo-3-ethyl-3-phenylheptanoic acid methyl ester IUPAC Name: methyl 7-bromo-3-ethyl-3-phenylheptanoate Traditional Name: 7-bromo-3-ethyl-3-phenyl-enanthic acid methyl ester Formula: C16H23BrO2 MolecularWeight: 327.25662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCBr)(CC(=O)OC)C1=CC=CC=C1

Isomeric SMILES

CCC(CCCCBr)(CC(=O)OC)C1=CC=CC=C1

InChI

InChI=1S/C16H23BrO2/c1-3-16(11-7-8-12-17,13-15(18)19-2)14-9-5-4-6-10-14/h4-6,9-10H,3,7-8,11-13H2,1-2H3