(E)-1-(4-iodophenyl)-7-[4-methoxy-3-(oxan-2-yloxy)phenyl]hept-1-en-3-one

Systemtic Name: (E)-1-(4-iodophenyl)-7-[4-methoxy-3-(oxan-2-yloxy)phenyl]hept-1-en-3-one Openeye Name: (E)-1-(4-iodophenyl)-7-(4-methoxy-3-tetrahydropyran-2-yloxy-phenyl)hept-1-en-3-one CAS Name: (E)-1-(4-iodophenyl)-7-[4-methoxy-3-(2-oxanyloxy)phenyl]-1-hepten-3-one IUPAC Name: (E)-1-(4-iodophenyl)-7-[4-methoxy-3-(oxan-2-yloxy)phenyl]hept-1-en-3-one Traditional Name: (E)-1-(4-iodophenyl)-7-(4-methoxy-3-tetrahydropyran-2-yloxy-phenyl)hept-1-en-3-one Formula: C25H29IO4 MolecularWeight: 520.39983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCCCC(=O)C=CC2=CC=C(C=C2)I)OC3CCCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)CCCCC(=O)/C=C/C2=CC=C(C=C2)I)OC3CCCCO3

InChI

InChI=1S/C25H29IO4/c1-28-23-16-12-20(18-24(23)30-25-8-4-5-17-29-25)6-2-3-7-22(27)15-11-19-9-13-21(26)14-10-19/h9-16,18,25H,2-8,17H2,1H3/b15-11+