3-Tropanyl 4'-(trifluoromethyl)atropate quarterhydrate
Molecular Formula:
C72H82F12N4O9
InChI: InChI=1/4C18H20F3NO2.H2O/c4*1-11(12-3-5-13(6-4-12)18(19,20)21)17(23)24-16-9-14-7-8-15(10-16)22(14)2;/h4*3-6,14-16H,1,7-10H2,2H3;1H2
InChIKey: InChIKey=JODMGWMPQPXDHV-UHFFFAOYAF
SMILES: CN1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=C(C=C3)C(F)(F)F.CN1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=C(C=C3)C(F)(F)F.CN1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=C(C=C3)C(F)(F)F.CN1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=C(C=C3)C(F)(F)F.O
Names:
ATROPIC ACID, 4'-(TRIFLUOROMETHYL)-, 3-TROPANYL ESTER, QUARTERHYDRATE
(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 2-[4-(trifluoromethyl)phenyl]prop-2-enoate hydrate
3-Tropanyl 4'-(trifluoromethyl)atropate quarterhydrate
4'-(Trifluoromethyl)atropic acid, 3-tropanyl ester, quarterhydrate
64048-79-9
Registries:
PubChem CID 46823
PubChem ID 186280
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