55925-24-1
3-PHENYLPROPENOIC ACID 6-HYDROXY-8-METHYL-2-BENZYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL ESTER
Name3-PHENYLPROPENOIC ACID 6-HYDROXY-8-METHYL-2-BENZYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL ESTER
1Identification
【Name】
3-PHENYLPROPENOIC ACID 6-HYDROXY-8-METHYL-2-BENZYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL ESTER
【CAS】
【MDL】
MFCD18972945
【English Synonyms】
【Formula】
C24 H27 N O3
【MolWeight】
377.481
【Inchi】
InChI=1S/C24H27NO3/c1-25-20-15-22(26)21(25)16-23(19(20)14-18-10-6-3-7-11-18)28-24(27)13-12-17-8-4-2-5-9-17/h2-13,19-23,26H,14-16H2,1H3/b13-12+/t19?,20-,21-,22?,23?/m1/s1
【InChIKey】
InChIKey=UEDXROJEPCCXGR-SVVZTIPSSA-N
【SMILES】
CN1[C@@H]2CC([C@H]1CC(C2Cc3ccccc3)OC(=O)/C=C/c4ccccc4)O
【MOL File】
3-PHENYLPROPENOIC AC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-PHENYLPROPENOIC ACID 6-HYDROXY-8-METHYL-2-BENZYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL ESTER.cml