782

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


Toggle HydrogenToggle Labels

Chemical Component Summary

Name(2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid
Identifiers(~{E})-3-[4-[(1~{R})-1-methyl-6-oxidanyl-2-(4-propan-2-ylphenyl)-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoic acid
FormulaC28 H29 N O3
Molecular Weight427.535
TypeNON-POLYMER
Isomeric SMILESCC(C)c1ccc(cc1)N2CCc3cc(ccc3[C@@]2(C)c4ccc(cc4)/C=C/C(=O)O)O
InChIInChI=1S/C28H29NO3/c1-19(2)21-7-11-24(12-8-21)29-17-16-22-18-25(30)13-14-26(22)28(29,3)23-9-4-20(5-10-23)6-15-27(31)32/h4-15,18-19,30H,16-17H2,1-3H3,(H,31,32)/b15-6+/t28-/m1/s1
InChIKeyHKXVKUOGCLJVEZ-AJVPWASQSA-N

Chemical Details

Formal Charge0
Atom Count61
Chiral Atom Count1
Bond Count64
Aromatic Bond Count18

Related Resource References

Resource NameReference
Pharos CHEMBL4063838
PubChem 124222742
ChEMBL CHEMBL4063838