basic_info |
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| 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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