VT4
Summary
| Name: | 2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1H)-one |
| Formula: | C19 H25 N O2 |
| Formal charge: | 0 |
| Formula weight: | 299.407 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1H)-one |
| OpenEye OEToolkits | 1.7.6 | 2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2C=C(N(C=C2Oc1ccccc1C)C)CCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C19H25NO2/c1-4-5-6-7-11-16-13-17(21)19(14-20(16)3)22-18-12-9-8-10-15(18)2/h8-10,12-14H,4-7,11H2,1-3H3 |
| InChIKey | InChI | 1.03 | UMFLEDWOPZCDDL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCC1=CC(=O)C(=CN1C)Oc2ccccc2C |
| SMILES | CACTVS | 3.385 | CCCCCCC1=CC(=O)C(=CN1C)Oc2ccccc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCC1=CC(=O)C(=CN1C)Oc2ccccc2C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCC1=CC(=O)C(=CN1C)Oc2ccccc2C |
