PHA 568487

pro_cas
527680-56-4
pro_cdbregno
CCD01148599
pro_formula
C16 H20 N2 O3 . C4 H4 O4
pro_molWeight
404.417

basic_info

Product_Name: PHA 568487
CAS: 527680-56-4
EnglishSynonyms: PHA 568487
pro_mdlNumber: MFCD11519961
pro_acceptors: 5
pro_donors: 1
pro_smile: c1cc2c(cc1C(=O)N[C@H]3CN4CC[C@@H]3CC4)OCCO2.C(=C/C(=O)O)\C(=O)O
InChi: InChI=1S/C16H20N2O3.C4H4O4/c19-16(17-13-10-18-5-3-11(13)4-6-18)12-1-2-14-15(9-12)21-8-7-20-14;5-3(6)1-2-4(7)8/h1-2,9,11,13H,3-8,10H2,(H,17,19);1-2H,(H,5,6)(H,7,8)/b;2-1+/t13-;/m0./s1
InChiKey: InChIKey=QYQZUGYJVHHHEE-QDSMGTAFSA-N

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