2-(3-methoxyphenyl)-3-[6-(4-oxidanylpiperidin-1-yl)hexoxy]chromen-4-one

Systemtic Name: 2-(3-methoxyphenyl)-3-[6-(4-oxidanylpiperidin-1-yl)hexoxy]chromen-4-one Openeye Name: 3-[6-(4-hydroxy-1-piperidyl)hexoxy]-2-(3-methoxyphenyl)chromen-4-one CAS Name: 3-[6-(4-hydroxy-1-piperidinyl)hexoxy]-2-(3-methoxyphenyl)-1-benzopyran-4-one IUPAC Name: 3-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-(3-methoxyphenyl)chromen-4-one Traditional Name: 3-[6-(4-hydroxypiperidino)hexoxy]-2-(3-methoxyphenyl)chromone Formula: C27H33NO5 MolecularWeight: 451.55462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCCCCCCN4CCC(CC4)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCCCCCCN4CCC(CC4)O

InChI

InChI=1S/C27H33NO5/c1-31-22-10-8-9-20(19-22)26-27(25(30)23-11-4-5-12-24(23)33-26)32-18-7-3-2-6-15-28-16-13-21(29)14-17-28/h4-5,8-12,19,21,29H,2-3,6-7,13-18H2,1H3