3-[2-(hydroxymethyl)-5-propoxy-phenoxy]azepan-2-one

Systemtic Name: 3-[2-(hydroxymethyl)-5-propoxy-phenoxy]azepan-2-one Openeye Name: 3-[2-(hydroxymethyl)-5-propoxy-phenoxy]azepan-2-one CAS Name: 3-[2-(hydroxymethyl)-5-propoxyphenoxy]-2-azepanone IUPAC Name: 3-[2-(hydroxymethyl)-5-propoxyphenoxy]azepan-2-one Traditional Name: 3-(2-methylol-5-propoxy-phenoxy)azepan-2-one Formula: C16H23NO4 MolecularWeight: 293.35812

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)CO)OC2CCCCNC2=O

Isomeric SMILES

CCCOC1=CC(=C(C=C1)CO)OC2CCCCNC2=O

InChI

InChI=1S/C16H23NO4/c1-2-9-20-13-7-6-12(11-18)15(10-13)21-14-5-3-4-8-17-16(14)19/h6-7,10,14,18H,2-5,8-9,11H2,1H3,(H,17,19)