1,3-Dioxane-4-acetic acid, 6-[2-[2-(4-fluorophenyl)-4-[[(4-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-(phenyl-d5)-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-
CAS Registry Number®
265989-38-6
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CAS Name
1,3-Dioxane-4-acetic acid, 6-[2-[2-(4-fluorophenyl)-4-[[(4-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-(phenyl-d5)-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-Molecular Formula
C40H42D5FN2O6Cite this Page
1,3-Dioxane-4-acetic acid, 6-[2-[2-(4-fluorophenyl)-4-[[(4-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-(phenyl-d5)-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=265989-38-6 (retrieved ) (CAS RN: 265989-38-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C40H47FN2O6/c1-25(2)36-35(38(46)42-29-17-19-30(44)20-18-29)34(26-11-9-8-10-12-26)37(27-13-15-28(41)16-14-27)43(36)22-21-31-23-32(48-40(6,7)47-31)24-33(45)49-39(3,4)5/h8-20,25,31-32,44H,21-24H2,1-7H3,(H,42,46)/t31-,32-/m1/s1/i8D,9D,10D,11D,12D
InChIKey
InChIKey=AQMFQOCFGPMVGX-DHJJOHBTSA-N
SMILES
C(NC1=CC=C(O)C=C1)(=O)C=2C(=C(N(CC[C@@H]3C[C@H](CC(OC(C)(C)C)=O)OC(C)(C)O3)C2C(C)C)C4=CC=C(F)C=C4)C5=C(C(=C(C(=C5[2H])[2H])[2H])[2H])[2H]
Canonical SMILES
O=C(OC(C)(C)C)CC1OC(OC(CCN2C(C=3C=CC(F)=CC3)=C(C=4C=CC=CC4)C(C(=O)NC5=CC=C(O)C=C5)=C2C(C)C)C1)(C)C
Other Names for this Substance
- 1,3-Dioxane-4-acetic acid, 6-[2-[2-(4-fluorophenyl)-4-[[(4-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-(phenyl-d5)-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-