QOL
Summary
| Name: | 8-azanyl-4-[2-(hydroxymethyl)-3-oxidanyl-propoxy]quinoline-2-carbaldehyde |
| Formula: | C14 H16 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 292.287 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-azanyl-4-[2-(hydroxymethyl)-3-oxidanyl-propoxy]quinoline-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H16N2O5/c15-10-3-1-2-9-12(21-7-8(5-17)6-18)4-11(14(19)20)16-13(9)10/h1-4,8,17-18H,5-7,15H2,(H,19,20) |
| InChIKey | InChI | 1.06 | XJOGBGMOAHLDPT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc2c(OCC(CO)CO)cc(nc12)C(O)=O |
| SMILES | CACTVS | 3.385 | Nc1cccc2c(OCC(CO)CO)cc(nc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc(nc2c(c1)N)C(=O)O)OCC(CO)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc(nc2c(c1)N)C(=O)O)OCC(CO)CO |
