907184-39-8
CIS-3-PYRROLIDINECARBOXYLIC ACID, 4-(4-CHLORO-3-ETHOXYPHENYL)-1-(PHENYLMETHYL), ETHYL ESTER
NameCIS-3-PYRROLIDINECARBOXYLIC ACID, 4-(4-CHLORO-3-ETHOXYPHENYL)-1-(PHENYLMETHYL), ETHYL ESTER
1Identification
【Name】
CIS-3-PYRROLIDINECARBOXYLIC ACID, 4-(4-CHLORO-3-ETHOXYPHENYL)-1-(PHENYLMETHYL), ETHYL ESTER
【CAS】
【MDL】
MFCD13191454
【English Synonyms】
【Formula】
C22 H26 Cl N O3
【MolWeight】
387.904
【Inchi】
InChI=1S/C22H26ClNO3/c1-3-26-21-12-17(10-11-20(21)23)18-14-24(13-16-8-6-5-7-9-16)15-19(18)22(25)27-4-2/h5-12,18-19H,3-4,13-15H2,1-2H3/t18-,19-/m0/s1
【InChIKey】
InChIKey=WALPVIZYIVVWHV-OALUTQOASA-N
【SMILES】
CCOc1cc(ccc1Cl)[C@@H]2CN(C[C@@H]2C(=O)OCC)Cc3ccccc3
【MOL File】
CIS-3-PYRROLIDINECAR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CIS-3-PYRROLIDINECARBOXYLIC ACID, 4-(4-CHLORO-3-ETHOXYPHENYL)-1-(PHENYLMETHYL), ETHYL ESTER.cml