(2R)-1-[5-methoxy-2-[[(4-methylsulfanylphenyl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-yl-propan-2-ol

Systemtic Name: (2R)-1-[5-methoxy-2-[[(4-methylsulfanylphenyl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-yl-propan-2-ol Openeye Name: (2R)-1-[5-methoxy-2-[[(4-methylsulfanylphenyl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-yl-propan-2-ol CAS Name: (2R)-1-[5-methoxy-2-[[[4-(methylthio)phenyl]methylamino]methyl]phenoxy]-3-(1-pyrrolidinyl)-2-propanol IUPAC Name: (2R)-1-[5-methoxy-2-[[(4-methylsulfanylphenyl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol Traditional Name: (2R)-1-[5-methoxy-2-[[[4-(methylthio)benzyl]amino]methyl]phenoxy]-3-pyrrolidino-propan-2-ol Formula: C23H32N2O3S MolecularWeight: 416.57678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNCC2=CC=C(C=C2)SC)OCC(CN3CCCC3)O

Isomeric SMILES

COC1=CC(=C(C=C1)CNCC2=CC=C(C=C2)SC)OC[C@@H](CN3CCCC3)O

InChI

InChI=1S/C23H32N2O3S/c1-27-21-8-7-19(15-24-14-18-5-9-22(29-2)10-6-18)23(13-21)28-17-20(26)16-25-11-3-4-12-25/h5-10,13,20,24,26H,3-4,11-12,14-17H2,1-2H3/t20-/m1/s1