956731-14-9
2-[(3AR)-1-BENZOYL-3A-METHYL-5-OXOOCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL BENZENECARBOXYLATE
Name
2-[(3AR)-1-BENZOYL-3A-METHYL-5-OXOOCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL BENZENECARBOXYLATE
Formula
C27 H24 N2 O4
MolWeight
440.497
1Identification
【Name】
2-[(3AR)-1-BENZOYL-3A-METHYL-5-OXOOCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL BENZENECARBOXYLATE
【CAS】
【MDL】
MFCD05670054
【English Synonyms】
【Formula】
C27 H24 N2 O4
【MolWeight】
440.497
【Inchi】
InChI=1S/C27H24N2O4/c1-27-16-21(20-14-8-9-15-22(20)33-25(32)19-12-6-3-7-13-19)29(26(27)28-23(30)17-27)24(31)18-10-4-2-5-11-18/h2-15,21,26H,16-17H2,1H3,(H,28,30)/t21?,26?,27-/m1/s1
【InChIKey】
InChIKey=SPSOPJXALCOOAI-ZSPKOWADSA-N
【SMILES】
C[C@]12CC(N(C1NC(=O)C2)C(=O)c3ccccc3)c4ccccc4OC(=O)c5ccccc5
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(3AR)-1-BENZOYL-3A-METHYL-5-OXOOCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL BENZENECARBOXYLATE.cml
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