ethanoic acid; 4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]-1-oxidanyl-ethyl]-2-methylsulfanyl-phenol

Systemtic Name: ethanoic acid; 4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]-1-oxidanyl-ethyl]-2-methylsulfanyl-phenol Openeye Name: acetic acid; 4-[1-hydroxy-2-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]ethyl]-2-methylsulfanyl-phenol CAS Name: acetic acid; 4-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]-2-(methylthio)phenol IUPAC Name: acetic acid; 4-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]-2-methylsulfanylphenol Traditional Name: acetic acid; 4-[1-hydroxy-2-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]ethyl]-2-(methylthio)phenol Formula: C22H31NO5S MolecularWeight: 421.55024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)SC)O.CC(=O)O

Isomeric SMILES

CC(CCC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)SC)O.CC(=O)O

InChI

InChI=1S/C20H27NO3S.C2H4O2/c1-14(4-5-15-6-9-17(24-2)10-7-15)21-13-19(23)16-8-11-18(22)20(12-16)25-3;1-2(3)4/h6-12,14,19,21-23H,4-5,13H2,1-3H3;1H3,(H,3,4)