4-[(4-fluorophenyl)methoxy]-6-(hydroxymethyl)-2-methyl-2-phenylsulfanyl-morpholine-3-carboxylic acid

Systemtic Name: 4-[(4-fluorophenyl)methoxy]-6-(hydroxymethyl)-2-methyl-2-phenylsulfanyl-morpholine-3-carboxylic acid Openeye Name: 4-[(4-fluorophenyl)methoxy]-6-(hydroxymethyl)-2-methyl-2-phenylsulfanyl-morpholine-3-carboxylic acid CAS Name: 4-[(4-fluorophenyl)methoxy]-6-(hydroxymethyl)-2-methyl-2-(phenylthio)-3-morpholinecarboxylic acid IUPAC Name: 4-[(4-fluorophenyl)methoxy]-6-(hydroxymethyl)-2-methyl-2-phenylsulfanylmorpholine-3-carboxylic acid Traditional Name: 4-(4-fluorobenzyl)oxy-2-methyl-6-methylol-2-(phenylthio)morpholine-3-carboxylic acid Formula: C20H22FNO5S MolecularWeight: 407.455783

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CC(O1)CO)OCC2=CC=C(C=C2)F)C(=O)O)SC3=CC=CC=C3

Isomeric SMILES

CC1(C(N(CC(O1)CO)OCC2=CC=C(C=C2)F)C(=O)O)SC3=CC=CC=C3

InChI

InChI=1S/C20H22FNO5S/c1-20(28-17-5-3-2-4-6-17)18(19(24)25)22(11-16(12-23)27-20)26-13-14-7-9-15(21)10-8-14/h2-10,16,18,23H,11-13H2,1H3,(H,24,25)