G62
Summary
Name: | 3-[6-[(1~{S},6~{R})-3-oxabicyclo[4.1.0]heptan-6-yl]pyridin-2-yl]phenol |
Formula: | C17 H17 N O2 |
Formal charge: | 0 |
Formula weight: | 267.322 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 3-[6-[(1~{S},6~{R})-3-oxabicyclo[4.1.0]heptan-6-yl]pyridin-2-yl]phenol |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C17H17NO2/c19-14-4-1-3-12(9-14)15-5-2-6-16(18-15)17-7-8-20-11-13(17)10-17/h1-6,9,13,19H,7-8,10-11H2/t13-,17+/m1/s1 |
InChIKey | InChI | 1.03 | LKFXAVVNPRARMY-DYVFJYSZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(c1)c2cccc(n2)[C@]34CCOC[C@H]3C4 |
SMILES | CACTVS | 3.385 | Oc1cccc(c1)c2cccc(n2)[C]34CCOC[CH]3C4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)O)c2cccc(n2)[C@]34CCOC[C@H]3C4 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)O)c2cccc(n2)C34CCOCC3C4 |