1354486-33-1
1,2-Pyrrolidinedicarboxylic acid, 4-(4-methylphenoxy)-, 1-(1,1-dimethylethyl) ester, (2S,4S)-
Name1,2-Pyrrolidinedicarboxylic acid, 4-(4-methylphenoxy)-, 1-(1,1-dimethylethyl) ester, (2S,4S)-
1Identification
【Name】
1,2-Pyrrolidinedicarboxylic acid, 4-(4-methylphenoxy)-, 1-(1,1-dimethylethyl) ester, (2S,4S)-
【CAS】
【MDL】
【English Synonyms】
【Formula】
C17H22NO5
【MolWeight】
320.3603
【Inchi】
InChI=1S/C17H23NO5/c1-11-5-7-12(8-6-11)22-13-9-14(15(19)20)18(10-13)16(21)23-17(2,3)4/h5-8,13-14H,9-10H2,1-4H3,(H,19,20)/p-1/t13-,14-/m0/s1
【InChIKey】
InChIKey=ZKVJBCASIOVKMW-KBPBESRZSA-M
【SMILES】
CC1=CC=C(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)[O-])C=C1
【MOL File】
1,2-Pyrrolidinedicar….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
1,2-Pyrrolidinedicarboxylic acid, 4-(4-methylphenoxy)-, 1-(1,1-dimethylethyl) ester, (2S,4S)-.cml