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

Systemtic Name: 3-[5-(hydroxymethyl)-2-methoxy-phenoxy]azepan-2-one Openeye Name: 3-[5-(hydroxymethyl)-2-methoxy-phenoxy]azepan-2-one CAS Name: 3-[5-(hydroxymethyl)-2-methoxyphenoxy]-2-azepanone IUPAC Name: 3-[5-(hydroxymethyl)-2-methoxyphenoxy]azepan-2-one Traditional Name: 3-(2-methoxy-5-methylol-phenoxy)azepan-2-one Formula: C14H19NO4 MolecularWeight: 265.30496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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