B0L
Summary
| Name: | 4-hydroxy-3-[(2S,6E,8E)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1H)-one |
| Formula: | C22 H25 N O3 |
| Formal charge: | 0 |
| Formula weight: | 351.439 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-hydroxy-3-[(2S,6E,8E)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1H)-one |
| OpenEye OEToolkits | 2.0.6 | 3-[(2~{S},6~{E},8~{E})-2-methyldeca-6,8-dienoyl]-4-oxidanyl-5-phenyl-1~{H}-pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccccc1C=2C(=C(C(C(C)CCCC=[C@H]C=[C@H]C)=O)C(=O)NC=2)O |
| InChI | InChI | 1.03 | InChI=1S/C22H25NO3/c1-3-4-5-6-7-9-12-16(2)20(24)19-21(25)18(15-23-22(19)26)17-13-10-8-11-14-17/h3-6,8,10-11,13-16H,7,9,12H2,1-2H3,(H2,23,25,26)/b4-3+,6-5+/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | YJRUCHHILBSMDC-GGXDDXSJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C/C=C/C=C/CCC[C@H](C)C(=O)C1=C(O)C(=CNC1=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CC=CC=CCCC[CH](C)C(=O)C1=C(O)C(=CNC1=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C/C=C/C=C/CCC[C@H](C)C(=O)C1=C(C(=CNC1=O)c2ccccc2)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC=CC=CCCCC(C)C(=O)C1=C(C(=CNC1=O)c2ccccc2)O |
