1-[4-[(2S)-3-(azepan-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone

Systemtic Name: 1-[4-[(2S)-3-(azepan-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[(2S)-3-(azepan-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[(2S)-3-(1-azepanyl)-2-hydroxypropoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[(2S)-3-(azepan-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[(2S)-3-(azepan-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone Formula: C18H27NO4 MolecularWeight: 321.41128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(CN2CCCCCC2)O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC[C@H](CN2CCCCCC2)O)OC

InChI

InChI=1S/C18H27NO4/c1-14(20)15-7-8-17(18(11-15)22-2)23-13-16(21)12-19-9-5-3-4-6-10-19/h7-8,11,16,21H,3-6,9-10,12-13H2,1-2H3/t16-/m0/s1