4-[3-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxidanyl-propoxy]-2-methylsulfanyl-phenol

Systemtic Name: 4-[3-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxidanyl-propoxy]-2-methylsulfanyl-phenol Openeye Name: 4-[2-hydroxy-3-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]propoxy]-2-methylsulfanyl-phenol CAS Name: 4-[2-hydroxy-3-[4-(4-methoxyphenyl)butan-2-ylamino]propoxy]-2-(methylthio)phenol IUPAC Name: 4-[2-hydroxy-3-[4-(4-methoxyphenyl)butan-2-ylamino]propoxy]-2-methylsulfanylphenol Traditional Name: 4-[2-hydroxy-3-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]propoxy]-2-(methylthio)phenol Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC)NCC(COC2=CC(=C(C=C2)O)SC)O

Isomeric SMILES

CC(CCC1=CC=C(C=C1)OC)NCC(COC2=CC(=C(C=C2)O)SC)O

InChI

InChI=1S/C21H29NO4S/c1-15(4-5-16-6-8-18(25-2)9-7-16)22-13-17(23)14-26-19-10-11-20(24)21(12-19)27-3/h6-12,15,17,22-24H,4-5,13-14H2,1-3H3