3-[2-ethoxy-6-(hydroxymethyl)phenoxy]azepan-2-one

Systemtic Name: 3-[2-ethoxy-6-(hydroxymethyl)phenoxy]azepan-2-one Openeye Name: 3-[2-ethoxy-6-(hydroxymethyl)phenoxy]azepan-2-one CAS Name: 3-[2-ethoxy-6-(hydroxymethyl)phenoxy]-2-azepanone IUPAC Name: 3-[2-ethoxy-6-(hydroxymethyl)phenoxy]azepan-2-one Traditional Name: 3-(2-ethoxy-6-methylol-phenoxy)azepan-2-one Formula: C15H21NO4 MolecularWeight: 279.33154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OC2CCCCNC2=O)CO

Isomeric SMILES

CCOC1=CC=CC(=C1OC2CCCCNC2=O)CO

InChI

InChI=1S/C15H21NO4/c1-2-19-12-8-5-6-11(10-17)14(12)20-13-7-3-4-9-16-15(13)18/h5-6,8,13,17H,2-4,7,9-10H2,1H3,(H,16,18)