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

Systemtic Name: 3-[2-bromanyl-6-ethoxy-4-(hydroxymethyl)phenoxy]azepan-2-one Openeye Name: 3-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]azepan-2-one CAS Name: 3-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-2-azepanone IUPAC Name: 3-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]azepan-2-one Traditional Name: 3-(2-bromo-6-ethoxy-4-methylol-phenoxy)azepan-2-one Formula: C15H20BrNO4 MolecularWeight: 358.2276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CO)Br)OC2CCCCNC2=O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CO)Br)OC2CCCCNC2=O

InChI

InChI=1S/C15H20BrNO4/c1-2-20-13-8-10(9-18)7-11(16)14(13)21-12-5-3-4-6-17-15(12)19/h7-8,12,18H,2-6,9H2,1H3,(H,17,19)