907184-31-0
CIS-3-PYRROLIDINECARBOXYLIC ACID, 4-(4-METHYLPHENYL)-1-(PHENYLMETHYL), ETHYL ESTER
NameCIS-3-PYRROLIDINECARBOXYLIC ACID, 4-(4-METHYLPHENYL)-1-(PHENYLMETHYL), ETHYL ESTER
1Identification
【Name】
CIS-3-PYRROLIDINECARBOXYLIC ACID, 4-(4-METHYLPHENYL)-1-(PHENYLMETHYL), ETHYL ESTER
【CAS】
【MDL】
MFCD13191461
【English Synonyms】
【Formula】
C21 H25 N O2
【MolWeight】
323.434
【Inchi】
InChI=1S/C21H25NO2/c1-3-24-21(23)20-15-22(13-17-7-5-4-6-8-17)14-19(20)18-11-9-16(2)10-12-18/h4-12,19-20H,3,13-15H2,1-2H3/t19-,20-/m0/s1
【InChIKey】
InChIKey=PFBMYHXEHDECHD-PMACEKPBSA-N
【SMILES】
CCOC(=O)[C@H]1CN(C[C@H]1c2ccc(cc2)C)Cc3ccccc3
【MOL File】
CIS-3-PYRROLIDINECAR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CIS-3-PYRROLIDINECARBOXYLIC ACID, 4-(4-METHYLPHENYL)-1-(PHENYLMETHYL), ETHYL ESTER.cml