QCL
Summary
| Name: | 8-azanyl-4-(2-ethylbutoxy)quinoline-2-carbaldehyde |
| Formula: | C16 H20 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 288.342 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-azanyl-4-(2-ethylbutoxy)quinoline-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H20N2O3/c1-3-10(4-2)9-21-14-8-13(16(19)20)18-15-11(14)6-5-7-12(15)17/h5-8,10H,3-4,9,17H2,1-2H3,(H,19,20) |
| InChIKey | InChI | 1.06 | KNUNTLVQQZHNHC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(CC)COc1cc(nc2c(N)cccc12)C(O)=O |
| SMILES | CACTVS | 3.385 | CCC(CC)COc1cc(nc2c(N)cccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(CC)COc1cc(nc2c1cccc2N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CC)COc1cc(nc2c1cccc2N)C(=O)O |
