ZUP
Summary
| Name: | 2-[[3-(2-phenylethoxy)phenyl]amino]pyridine-3-carboxylic acid |
| Formula: | C20 H18 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 334.369 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[3-(2-phenylethoxy)phenyl]amino]pyridine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H18N2O3/c23-20(24)18-10-5-12-21-19(18)22-16-8-4-9-17(14-16)25-13-11-15-6-2-1-3-7-15/h1-10,12,14H,11,13H2,(H,21,22)(H,23,24) |
| InChIKey | InChI | 1.06 | RPAUBABQNGCBRR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccnc1Nc2cccc(OCCc3ccccc3)c2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccnc1Nc2cccc(OCCc3ccccc3)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCOc2cccc(c2)Nc3c(cccn3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCOc2cccc(c2)Nc3c(cccn3)C(=O)O |
