3-ethyl-3-[3-(hydroxymethyl)-2-phenoxy-phenyl]-1-methyl-azepan-2-one

Systemtic Name: 3-ethyl-3-[3-(hydroxymethyl)-2-phenoxy-phenyl]-1-methyl-azepan-2-one Openeye Name: 3-ethyl-3-[3-(hydroxymethyl)-2-phenoxy-phenyl]-1-methyl-azepan-2-one CAS Name: 3-ethyl-3-[3-(hydroxymethyl)-2-phenoxyphenyl]-1-methyl-2-azepanone IUPAC Name: 3-ethyl-3-[3-(hydroxymethyl)-2-phenoxyphenyl]-1-methylazepan-2-one Traditional Name: 3-ethyl-1-methyl-3-(3-methylol-2-phenoxy-phenyl)azepan-2-one Formula: C22H27NO3 MolecularWeight: 353.45468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1=O)C)C2=C(C(=CC=C2)CO)OC3=CC=CC=C3

Isomeric SMILES

CCC1(CCCCN(C1=O)C)C2=C(C(=CC=C2)CO)OC3=CC=CC=C3

InChI

InChI=1S/C22H27NO3/c1-3-22(14-7-8-15-23(2)21(22)25)19-13-9-10-17(16-24)20(19)26-18-11-5-4-6-12-18/h4-6,9-13,24H,3,7-8,14-16H2,1-2H3