HR9
Summary
| Name: | 5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid |
| Formula: | C17 H18 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 314.336 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H18N2O4/c20-16(21)13-10-14(17(22)23)19-11-15(13)18-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,10-11,18H,4-5,8-9H2,(H,20,21)(H,22,23) |
| InChIKey | InChI | 1.03 | QFSOXITYRWOMFC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(C(O)=O)c(NCCCCc2ccccc2)cn1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(C(O)=O)c(NCCCCc2ccccc2)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCCCNc2cnc(cc2C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCCCNc2cnc(cc2C(=O)O)C(=O)O |
