3-[2-(hydroxymethyl)-4-methoxy-phenoxy]azepan-2-one

Systemtic Name: 3-[2-(hydroxymethyl)-4-methoxy-phenoxy]azepan-2-one Openeye Name: 3-[2-(hydroxymethyl)-4-methoxy-phenoxy]azepan-2-one CAS Name: 3-[2-(hydroxymethyl)-4-methoxyphenoxy]-2-azepanone IUPAC Name: 3-[2-(hydroxymethyl)-4-methoxyphenoxy]azepan-2-one Traditional Name: 3-(4-methoxy-2-methylol-phenoxy)azepan-2-one Formula: C14H19NO4 MolecularWeight: 265.30496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC2CCCCNC2=O)CO

Isomeric SMILES

COC1=CC(=C(C=C1)OC2CCCCNC2=O)CO

InChI

InChI=1S/C14H19NO4/c1-18-11-5-6-12(10(8-11)9-16)19-13-4-2-3-7-15-14(13)17/h5-6,8,13,16H,2-4,7,9H2,1H3,(H,15,17)