4-[4-[(2S)-3-(cyclooctylamino)-2-oxidanyl-propoxy]phenyl]butan-2-one

Systemtic Name: 4-[4-[(2S)-3-(cyclooctylamino)-2-oxidanyl-propoxy]phenyl]butan-2-one Openeye Name: 4-[4-[(2S)-3-(cyclooctylamino)-2-hydroxy-propoxy]phenyl]butan-2-one CAS Name: 4-[4-[(2S)-3-(cyclooctylamino)-2-hydroxypropoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[(2S)-3-(cyclooctylamino)-2-hydroxypropoxy]phenyl]butan-2-one Traditional Name: 4-[4-[(2S)-3-(cyclooctylamino)-2-hydroxy-propoxy]phenyl]butan-2-one Formula: C21H33NO3 MolecularWeight: 347.49162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCC(CNC2CCCCCCC2)O

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OC[C@H](CNC2CCCCCCC2)O

InChI

InChI=1S/C21H33NO3/c1-17(23)9-10-18-11-13-21(14-12-18)25-16-20(24)15-22-19-7-5-3-2-4-6-8-19/h11-14,19-20,22,24H,2-10,15-16H2,1H3/t20-/m0/s1