77W

(2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid


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Chemical Component Summary

Name(2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid
Identifiers(~{E})-3-[4-[(1~{R})-2-(4-fluorophenyl)-1-methyl-6-oxidanyl-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoic acid
FormulaC25 H22 F N O3
Molecular Weight403.445
TypeNON-POLYMER
Isomeric SMILESC[C@]1(c2ccc(cc2CCN1c3ccc(cc3)F)O)c4ccc(cc4)/C=C/C(=O)O
InChIInChI=1S/C25H22FNO3/c1-25(19-5-2-17(3-6-19)4-13-24(29)30)23-12-11-22(28)16-18(23)14-15-27(25)21-9-7-20(26)8-10-21/h2-13,16,28H,14-15H2,1H3,(H,29,30)/b13-4+/t25-/m1/s1
InChIKeyNZVCGXAIFBXHCL-UITUQSNXSA-N

Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count1
Bond Count55
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 118166742