4-[(1S)-(4-DIMETHYLAMINO)-1-(4-FLUOTOPHENYL)-1-HYDROXYBUTYL]-3-(HYDROXYMETHYL)BENZONITRILE (2R,3R)-2,3-BIS[(4-METHYLBENZOYL)OXY]BUTANEDIOIC ACID ,912452-31-4 _ChemCD

4-[(1S)-(4-DIMETHYLAMINO)-1-(4-FLUOTOPHENYL)-1-HYDROXYBUTYL]-3-(HYDROXYMETHYL)BENZONITRILE (2R,3R)-2,3-BIS[(4-METHYLBENZOYL)OXY]BUTANEDIOIC ACID

basic_info
Product_Name：	4-[(1S)-(4-DIMETHYLAMINO)-1-(4-FLUOTOPHENYL)-1-HYDROXYBUTYL]-3-(HYDROXYMETHYL)BENZONITRILE (2R,3R)-2,3-BIS[(4-METHYLBENZOYL)OXY]BUTANEDIOIC ACID
CAS：	912452-31-4
EnglishSynonyms：	4-[(1S)-(4-DIMETHYLAMINO)-1-(4-FLUOTOPHENYL)-1-HYDROXYBUTYL]-3-(HYDROXYMETHYL)BENZONITRILE (2R,3R)-2,3-BIS[(4-METHYLBENZOYL)OXY]BUTANEDIOIC ACID
pro_mdlNumber：	MFCD13194845
pro_acceptors：	8
pro_donors：	2
pro_smile：	Cc1ccc(cc1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)c2ccc(cc2)C)C(=O)O.CN(C)CCC[C@](c1ccc(cc1)F)(c2ccc(cc2CO)C#N)O
InChi：	InChI=1S/C20H23FN2O2.C20H18O8/c1-23(2)11-3-10-20(25,17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24;1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h4-9,12,24-25H,3,10-11,14H2,1-2H3;3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t20-;15-,16-/m01/s1
InChiKey：	InChIKey=IRRGXFHCQREYSA-CXHKBPNVSA-N

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