957029-93-5
2-[(3AR)-1-ACETYL-3A-METHYL-5-OXOOCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL 6-CHLORONICOTINATE
Name
2-[(3AR)-1-ACETYL-3A-METHYL-5-OXOOCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL 6-CHLORONICOTINATE
pro_formula
C21 H20 Cl N3 O4
pro_molWeight
413.859
1Identification
【Name】
2-[(3AR)-1-ACETYL-3A-METHYL-5-OXOOCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL 6-CHLORONICOTINATE
【CAS】
【MDL】
MFCD05670069
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H20 Cl N3 O4
【pro_molWeight】
413.859
【Inchi】
InChI=1S/C21H20ClN3O4/c1-12(26)25-15(9-21(2)10-18(27)24-20(21)25)14-5-3-4-6-16(14)29-19(28)13-7-8-17(22)23-11-13/h3-8,11,15,20H,9-10H2,1-2H3,(H,24,27)/t15?,20?,21-/m1/s1
【InChIKey】
InChIKey=FAJVUSBZVPZYMF-KUTOWUBSSA-N
【SMILES】
CC(=O)N1C(C[C@]2(C1NC(=O)C2)C)c3ccccc3OC(=O)c4ccc(nc4)Cl
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:7
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-[(3AR)-1-ACETYL-3A-METHYL-5-OXOOCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL 6-CHLORONICOTINATE.cml
quick_release
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SuppliersList
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