402958-24-1
CYCLOPENTA[C]PYRROLE-1,2(1H)-DICARBOXYLIC ACID, HEXAHYDRO-,1-ETHYL-2-(PHENYLMETHYL) ESTER, (1R,3AS,6AR)-
NameCYCLOPENTA[C]PYRROLE-1,2(1H)-DICARBOXYLIC ACID, HEXAHYDRO-,1-ETHYL-2-(PHENYLMETHYL) ESTER, (1R,3AS,6AR)-
1Identification
【Name】
CYCLOPENTA[C]PYRROLE-1,2(1H)-DICARBOXYLIC ACID, HEXAHYDRO-,1-ETHYL-2-(PHENYLMETHYL) ESTER, (1R,3AS,6AR)-
【CAS】
【MDL】
MFCD17018321
【English Synonyms】
【Formula】
C18 H23 N O4
【MolWeight】
317.383
【Inchi】
InChI=1S/C18H23NO4/c1-2-22-17(20)16-15-10-6-9-14(15)11-19(16)18(21)23-12-13-7-4-3-5-8-13/h3-5,7-8,14-16H,2,6,9-12H2,1H3/t14-,15-,16-/m1/s1
【InChIKey】
InChIKey=MDCROZGYVRSHIJ-BZUAXINKSA-N
【SMILES】
CCOC(=O)[C@H]1[C@@H]2CCC[C@@H]2CN1C(=O)OCc3ccccc3
【MOL File】
CYCLOPENTA[C]PYRROLE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CYCLOPENTA[C]PYRROLE-1,2(1H)-DICARBOXYLIC ACID, HEXAHYDRO-,1-ETHYL-2-(PHENYLMETHYL) ESTER, (1R,3AS,6AR)-.cml