Chemical Component Summary

Name(2E)-3-{6-[(1S)-1-(3-amino-2,6-dichlorophenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid
Identifiers(~{E})-3-[6-[(1~{S})-1-[3-azanyl-2,6-bis(chloranyl)phenyl]ethoxy]-4-cyclopropyl-quinolin-3-yl]prop-2-enoic acid
FormulaC23 H20 Cl2 N2 O3
Molecular Weight443.323
TypeNON-POLYMER
Isomeric SMILESC[C@@H](c1c(ccc(c1Cl)N)Cl)Oc2ccc3c(c2)c(c(cn3)/C=C/C(=O)O)C4CC4
InChIInChI=1S/C23H20Cl2N2O3/c1-12(21-17(24)6-7-18(26)23(21)25)30-15-5-8-19-16(10-15)22(13-2-3-13)14(11-27-19)4-9-20(28)29/h4-13H,2-3,26H2,1H3,(H,28,29)/b9-4+/t12-/m0/s1
InChIKeyXJXAZWMUTUJRMD-KFRNIWOLSA-N

Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count1
Bond Count53
Aromatic Bond Count17

Related Resource References

Resource NameReference
PubChem 133053998