VIX
Summary
| Name: | (2R)-(4-chlorophenyl)(morpholin-4-yl)acetic acid |
| Formula: | C12 H14 Cl N O3 |
| Formal charge: | 0 |
| Formula weight: | 255.697 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-(4-chlorophenyl)(morpholin-4-yl)acetic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-(4-chlorophenyl)-2-morpholin-4-yl-ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)C(N1CCOCC1)c1ccc(Cl)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C12H14ClNO3/c13-10-3-1-9(2-4-10)11(12(15)16)14-5-7-17-8-6-14/h1-4,11H,5-8H2,(H,15,16)/t11-/m1/s1 |
| InChIKey | InChI | 1.06 | JPMCHPNNLFZQMS-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H](N1CCOCC1)c2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH](N1CCOCC1)c2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1[C@H](C(=O)O)N2CCOCC2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(C(=O)O)N2CCOCC2)Cl |
