907184-36-5
CIS-3-PYRROLIDINECARBOXYLIC ACID, 4-(4-BROMO-3-METHYLPHENYL)-1-(PHENYLMETHYL), ETHYL ESTER
NameCIS-3-PYRROLIDINECARBOXYLIC ACID, 4-(4-BROMO-3-METHYLPHENYL)-1-(PHENYLMETHYL), ETHYL ESTER
1Identification
【Name】
CIS-3-PYRROLIDINECARBOXYLIC ACID, 4-(4-BROMO-3-METHYLPHENYL)-1-(PHENYLMETHYL), ETHYL ESTER
【CAS】
【MDL】
MFCD13191456
【English Synonyms】
【Formula】
C21 H24 Br N O2
【MolWeight】
402.33
【Inchi】
InChI=1S/C21H24BrNO2/c1-3-25-21(24)19-14-23(12-16-7-5-4-6-8-16)13-18(19)17-9-10-20(22)15(2)11-17/h4-11,18-19H,3,12-14H2,1-2H3/t18-,19-/m0/s1
【InChIKey】
InChIKey=VXQUJXCHRAVQPM-OALUTQOASA-N
【SMILES】
CCOC(=O)[C@H]1CN(C[C@H]1c2ccc(c(c2)C)Br)Cc3ccccc3
【MOL File】
CIS-3-PYRROLIDINECAR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CIS-3-PYRROLIDINECARBOXYLIC ACID, 4-(4-BROMO-3-METHYLPHENYL)-1-(PHENYLMETHYL), ETHYL ESTER.cml