885958-43-0
2-BENZYL-HEXAHYDRO-CYCLOPENTA[C]PYRROLE-3A-CARBOXYLIC ACID METHYL ESTER
Name2-BENZYL-HEXAHYDRO-CYCLOPENTA[C]PYRROLE-3A-CARBOXYLIC ACID METHYL ESTER
1Identification
【Name】
2-BENZYL-HEXAHYDRO-CYCLOPENTA[C]PYRROLE-3A-CARBOXYLIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD05662795
【English Synonyms】
【Formula】
C16 H21 N O2
【MolWeight】
259.347
【Inchi】
InChI=1S/C16H21NO2/c1-19-15(18)16-9-5-8-14(16)11-17(12-16)10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3
【InChIKey】
InChIKey=DFKYQTUJTMSPII-UHFFFAOYSA-N
【SMILES】
COC(=O)C12CCCC1CN(C2)Cc3ccccc3
【MOL File】
2-BENZYL-HEXAHYDRO-C….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-BENZYL-HEXAHYDRO-CYCLOPENTA[C]PYRROLE-3A-CARBOXYLIC ACID METHYL ESTER.cml