3-[2-bromanyl-4-(hydroxymethyl)-6-methoxy-phenoxy]azepan-2-one

Systemtic Name: 3-[2-bromanyl-4-(hydroxymethyl)-6-methoxy-phenoxy]azepan-2-one Openeye Name: 3-[2-bromo-4-(hydroxymethyl)-6-methoxy-phenoxy]azepan-2-one CAS Name: 3-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-2-azepanone IUPAC Name: 3-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]azepan-2-one Traditional Name: 3-(2-bromo-6-methoxy-4-methylol-phenoxy)azepan-2-one Formula: C14H18BrNO4 MolecularWeight: 344.20102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO4/c1-19-12-7-9(8-17)6-10(15)13(12)20-11-4-2-3-5-16-14(11)18/h6-7,11,17H,2-5,8H2,1H3,(H,16,18)