175423-86-6
TRANS-3-PYRROLIDINECARBOXYLIC ACID, 4-(3-CHLORO-2-METHOXYPHENYL)-1-(PHENYLMETHYL), METHYL ESTER
NameTRANS-3-PYRROLIDINECARBOXYLIC ACID, 4-(3-CHLORO-2-METHOXYPHENYL)-1-(PHENYLMETHYL), METHYL ESTER
1Identification
【Name】
TRANS-3-PYRROLIDINECARBOXYLIC ACID, 4-(3-CHLORO-2-METHOXYPHENYL)-1-(PHENYLMETHYL), METHYL ESTER
【CAS】
【MDL】
MFCD13191491
【English Synonyms】
【Formula】
C20 H22 Cl N O3
【MolWeight】
359.851
【Inchi】
InChI=1S/C20H22ClNO3/c1-24-19-15(9-6-10-18(19)21)16-12-22(13-17(16)20(23)25-2)11-14-7-4-3-5-8-14/h3-10,16-17H,11-13H2,1-2H3/t16-,17+/m1/s1
【InChIKey】
InChIKey=FYGHQCOYSUTIMI-SJORKVTESA-N
【SMILES】
COc1c(cccc1Cl)[C@H]2CN(C[C@@H]2C(=O)OC)Cc3ccccc3
【MOL File】
TRANS-3-PYRROLIDINEC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TRANS-3-PYRROLIDINECARBOXYLIC ACID, 4-(3-CHLORO-2-METHOXYPHENYL)-1-(PHENYLMETHYL), METHYL ESTER.cml