3-[4-(hydroxymethyl)-2,6-dimethyl-phenoxy]azepan-2-one

Systemtic Name: 3-[4-(hydroxymethyl)-2,6-dimethyl-phenoxy]azepan-2-one Openeye Name: 3-[4-(hydroxymethyl)-2,6-dimethyl-phenoxy]azepan-2-one CAS Name: 3-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-2-azepanone IUPAC Name: 3-[4-(hydroxymethyl)-2,6-dimethylphenoxy]azepan-2-one Traditional Name: 3-(2,6-dimethyl-4-methylol-phenoxy)azepan-2-one Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2CCCCNC2=O)C)CO

Isomeric SMILES

CC1=CC(=CC(=C1OC2CCCCNC2=O)C)CO

InChI

InChI=1S/C15H21NO3/c1-10-7-12(9-17)8-11(2)14(10)19-13-5-3-4-6-16-15(13)18/h7-8,13,17H,3-6,9H2,1-2H3,(H,16,18)