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

Systemtic Name: 3-[2-(hydroxymethyl)-6-methoxy-phenoxy]azepan-2-one Openeye Name: 3-[2-(hydroxymethyl)-6-methoxy-phenoxy]azepan-2-one CAS Name: 3-[2-(hydroxymethyl)-6-methoxyphenoxy]-2-azepanone IUPAC Name: 3-[2-(hydroxymethyl)-6-methoxyphenoxy]azepan-2-one Traditional Name: 3-(2-methoxy-6-methylol-phenoxy)azepan-2-one Formula: C14H19NO4 MolecularWeight: 265.30496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC2CCCCNC2=O)CO

Isomeric SMILES

COC1=CC=CC(=C1OC2CCCCNC2=O)CO

InChI

InChI=1S/C14H19NO4/c1-18-11-7-4-5-10(9-16)13(11)19-12-6-2-3-8-15-14(12)17/h4-5,7,12,16H,2-3,6,8-9H2,1H3,(H,15,17)