53365-80-3
2-BENZYL 4-(TERT-BUTYL) 3-(3-METHOXY-3-OXOPROPYL)-5-METHYL-1H-PYRROLE-2,4-DICARBOXYLATE
Name
2-BENZYL 4-(TERT-BUTYL) 3-(3-METHOXY-3-OXOPROPYL)-5-METHYL-1H-PYRROLE-2,4-DICARBOXYLATE
Formula
C22 H27 N O6
MolWeight
401.456
1Identification
【Name】
2-BENZYL 4-(TERT-BUTYL) 3-(3-METHOXY-3-OXOPROPYL)-5-METHYL-1H-PYRROLE-2,4-DICARBOXYLATE
【CAS】
【MDL】
MFCD00102153
【English Synonyms】
【Formula】
C22 H27 N O6
【MolWeight】
401.456
【Inchi】
InChI=1S/C22H27NO6/c1-14-18(20(25)29-22(2,3)4)16(11-12-17(24)27-5)19(23-14)21(26)28-13-15-9-7-6-8-10-15/h6-10,23H,11-13H2,1-5H3
【InChIKey】
InChIKey=AANSPGZSNZFENP-UHFFFAOYSA-N
【SMILES】
Cc1c(c(c([nH]1)C(=O)OCc2ccccc2)CCC(=O)OC)C(=O)OC(C)(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-BENZYL 4-(TERT-BUTYL) 3-(3-METHOXY-3-OXOPROPYL)-5-METHYL-1H-PYRROLE-2,4-DICARBOXYLATE.cml
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