907184-38-7
CIS-3-PYRROLIDINECARBOXYLIC ACID, 4-(4-BROMO-3-METHOXYPHENYL)-1-(PHENYLMETHYL), ETHYL ESTER
NameCIS-3-PYRROLIDINECARBOXYLIC ACID, 4-(4-BROMO-3-METHOXYPHENYL)-1-(PHENYLMETHYL), ETHYL ESTER
1Identification
【Name】
CIS-3-PYRROLIDINECARBOXYLIC ACID, 4-(4-BROMO-3-METHOXYPHENYL)-1-(PHENYLMETHYL), ETHYL ESTER
【CAS】
【MDL】
MFCD13191455
【English Synonyms】
【Formula】
C21 H24 Br N O3
【MolWeight】
418.329
【Inchi】
InChI=1S/C21H24BrNO3/c1-3-26-21(24)18-14-23(12-15-7-5-4-6-8-15)13-17(18)16-9-10-19(22)20(11-16)25-2/h4-11,17-18H,3,12-14H2,1-2H3/t17-,18-/m0/s1
【InChIKey】
InChIKey=BMZXNDRLDGYQFI-ROUUACIJSA-N
【SMILES】
CCOC(=O)[C@H]1CN(C[C@H]1c2ccc(c(c2)OC)Br)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-BROMO-3-METHOXYPHENYL)-1-(PHENYLMETHYL), ETHYL ESTER.cml