1-(3-bromanyl-4-phenylmethoxy-phenyl)-7-(3-methoxy-4-oxidanyl-phenyl)heptan-3-one

Systemtic Name: 1-(3-bromanyl-4-phenylmethoxy-phenyl)-7-(3-methoxy-4-oxidanyl-phenyl)heptan-3-one Openeye Name: 1-(4-benzyloxy-3-bromo-phenyl)-7-(4-hydroxy-3-methoxy-phenyl)heptan-3-one CAS Name: 1-(3-bromo-4-phenylmethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-3-heptanone IUPAC Name: 1-(3-bromo-4-phenylmethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptan-3-one Traditional Name: 1-(4-benzoxy-3-bromo-phenyl)-7-(4-hydroxy-3-methoxy-phenyl)heptan-3-one Formula: C27H29BrO4 MolecularWeight: 497.42076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCCCC(=O)CCC2=CC(=C(C=C2)OCC3=CC=CC=C3)Br)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCCCC(=O)CCC2=CC(=C(C=C2)OCC3=CC=CC=C3)Br)O

InChI

InChI=1S/C27H29BrO4/c1-31-27-18-20(12-15-25(27)30)7-5-6-10-23(29)14-11-21-13-16-26(24(28)17-21)32-19-22-8-3-2-4-9-22/h2-4,8-9,12-13,15-18,30H,5-7,10-11,14,19H2,1H3