LUC
Summary
| Name: | 2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)acetamide |
| Formula: | C17 H16 Cl N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 345.78 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-[3-chloranyl-5-[(2~{R})-4-oxidanylideneazetidin-2-yl]oxy-phenyl]-~{N}-(4-methylpyridin-3-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OC2CC(=O)N2)c1 |
| InChI | InChI | 1.06 | InChI=1S/C17H16ClN3O3/c1-10-2-3-19-9-14(10)20-15(22)6-11-4-12(18)7-13(5-11)24-17-8-16(23)21-17/h2-5,7,9,17H,6,8H2,1H3,(H,20,22)(H,21,23)/t17-/m1/s1 |
| InChIKey | InChI | 1.06 | JCZDGTYSQGAPDN-QGZVFWFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)Cc2cc(Cl)cc(O[C@@H]3CC(=O)N3)c2 |
| SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)Cc2cc(Cl)cc(O[CH]3CC(=O)N3)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)O[C@@H]3CC(=O)N3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)OC3CC(=O)N3 |
