71603-46-8
Benzenebutanoic acid, 4-[(2,6-dichlorophenyl)methoxy]-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-, (betaS)-
NameBenzenebutanoic acid, 4-[(2,6-dichlorophenyl)methoxy]-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-, (betaS)-
1Identification
【Name】
Benzenebutanoic acid, 4-[(2,6-dichlorophenyl)methoxy]-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-, (betaS)-
【CAS】
【MDL】
【English Synonyms】
【Formula】
C22H25Cl2NO5
【MolWeight】
454.344
【Inchi】
InChI=1S/C22H25Cl2NO5/c1-22(2,3)30-21(28)25-15(12-20(26)27)11-14-7-9-16(10-8-14)29-13-17-18(23)5-4-6-19(17)24/h4-10,15H,11-13H2,1-3H3,(H,25,28)(H,26,27)/t15-/m0/s1
【InChIKey】
InChIKey=CHBJQUGLVFZYIN-HNNXBMFYSA-N
【SMILES】
ClC1=C(C(=CC=C1)Cl)COC1=CC=C(C=C1)C[C@@H](CC(=O)O)NC(=O)OC(C)(C)C
【MOL File】
Benzenebutanoic acid….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
Benzenebutanoic acid, 4-[(2,6-dichlorophenyl)methoxy]-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-, (betaS)-.cml