D4X

(3~{S})-3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydro-2~{H}-isoquinolin-1-one



Chemical Component Summary

Name(3~{S})-3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydro-2~{H}-isoquinolin-1-one
Identifiers(3~{S})-3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydro-2~{H}-isoquinolin-1-one
FormulaC17 H23 N O3
Molecular Weight289.369
TypeNON-POLYMER
Isomeric SMILESC[C@H]1CCC[C@@H](C1)C[C@H]2Cc3cc(cc(c3C(=O)N2)O)O
InChIInChI=1S/C17H23NO3/c1-10-3-2-4-11(5-10)6-13-7-12-8-14(19)9-15(20)16(12)17(21)18-13/h8-11,13,19-20H,2-7H2,1H3,(H,18,21)/t10-,11-,13-/m0/s1
InChIKeyYKYWGEWGZHSEGR-GVXVVHGQSA-N

Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count3
Bond Count46
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 146018250