CAS Registry Number®
2140301-98-8
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Molecular Formula
C25H36F3N5O3.C4H6O4Cite this Page
. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=2140301-98-8 (retrieved ) (CAS RN: 2140301-98-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C25H36F3N5O3.C4H6O4/c1-15(2)24(6-4-16(10-24)31-19-5-7-36-13-20(19)35-3)23(34)33-12-17-8-18(33)11-32(17)22-9-21(25(26,27)28)29-14-30-22;5-3(6)1-2-4(7)8/h9,14-20,31H,4-8,10-13H2,1-3H3;1-2H2,(H,5,6)(H,7,8)/t16-,17+,18+,19+,20-,24+;/m1./s1
InChIKey
InChIKey=WRPPUEHVLSHXJG-HTQYHTRRSA-N
SMILES
C(=O)([C@]1([C@@H](C)C)C[C@H](N[C@@H]2[C@H](OC)COCC2)CC1)N3[C@@]4(CN([C@](C3)(C4)[H])C=5C=C(C(F)(F)F)N=CN5)[H].C(CC(O)=O)C(O)=O
Canonical SMILES
O=C(O)CCC(=O)O.O=C(N1CC2N(C3=NC=NC(=C3)C(F)(F)F)CC1C2)C4(CCC(NC5CCOCC5OC)C4)C(C)C
