3-(2-ethanoyl-4-methyl-phenoxy)azepan-2-one

Systemtic Name: 3-(2-ethanoyl-4-methyl-phenoxy)azepan-2-one Openeye Name: 3-(2-acetyl-4-methyl-phenoxy)azepan-2-one CAS Name: 3-(2-acetyl-4-methylphenoxy)-2-azepanone IUPAC Name: 3-(2-acetyl-4-methylphenoxy)azepan-2-one Traditional Name: 3-(2-acetyl-4-methyl-phenoxy)azepan-2-one Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2CCCCNC2=O)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC2CCCCNC2=O)C(=O)C

InChI

InChI=1S/C15H19NO3/c1-10-6-7-13(12(9-10)11(2)17)19-14-5-3-4-8-16-15(14)18/h6-7,9,14H,3-5,8H2,1-2H3,(H,16,18)