A1IOW
Summary
| Name: | (1~{S},2~{R},4~{R})-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane |
| Formula: | C18 H26 O2 |
| Formal charge: | 0 |
| Formula weight: | 274.398 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},2~{R},4~{R})-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H26O2/c1-13(2)18-10-9-17(4,20-18)16(11-18)19-12-15-8-6-5-7-14(15)3/h5-8,13,16H,9-12H2,1-4H3/t16?,17-,18+/m0/s1 |
| InChIKey | InChI | 1.06 | QMTNOLKHSWIQBE-UQJFVLDMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@]12CC[C@](C)(O1)[C@@H](C2)OCc3ccccc3C |
| SMILES | CACTVS | 3.385 | CC(C)[C]12CC[C](C)(O1)[CH](C2)OCc3ccccc3C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1CO[C@@H]2C[C@]3(CC[C@@]2(O3)C)C(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1COC2CC3(CCC2(O3)C)C(C)C |
