BENZOIC ACID, 4-[4-[(3R)-3-[[[2-OXO-2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO]ETHYL]AMINO]CARBONYL]-1-PYRROLIDINYL]-1-PIPERIDINYL]-, METHYL ESTER

pro_cas
936447-32-4
pro_cdbregno
CCD02383578
pro_formula
C27 H31 F3 N4 O4
pro_molWeight
532.56

basic_info

Product_Name: BENZOIC ACID, 4-[4-[(3R)-3-[[[2-OXO-2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO]ETHYL]AMINO]CARBONYL]-1-PYRROLIDINYL]-1-PIPERIDINYL]-, METHYL ESTER
CAS: 936447-32-4
EnglishSynonyms: BENZOIC ACID, 4-[4-[(3R)-3-[[[2-OXO-2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO]ETHYL]AMINO]CARBONYL]-1-PYRROLIDINYL]-1-PIPERIDINYL]-, METHYL ESTER ; 4-[4-[(3R)-3-[[[2-OXO-2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO]ETHYL]AMINO]CARBONYL]-1-PYRROLIDINYL]-1-PIPERIDINYL]-BENZOIC ACID METHYL ESTER
pro_mdlNumber: MFCD15144669
pro_acceptors: 8
pro_donors: 2
pro_smile: COC(=O)c1ccc(cc1)N2CCC(CC2)N3CC[C@H](C3)C(=O)NCC(=O)Nc4cccc(c4)C(F)(F)F
InChi: InChI=1S/C27H31F3N4O4/c1-38-26(37)18-5-7-22(8-6-18)33-13-10-23(11-14-33)34-12-9-19(17-34)25(36)31-16-24(35)32-21-4-2-3-20(15-21)27(28,29)30/h2-8,15,19,23H,9-14,16-17H2,1H3,(H,31,36)(H,32,35)/t19-/m1/s1
InChiKey: InChIKey=LYVWXUBITSZUQP-LJQANCHMSA-N

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