A1JL8
Summary
| Name: | 3-[[4-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid |
| Formula: | C19 H21 F3 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 394.391 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[[4-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H21F3N4O2/c1-18(2)8-10-26(13-6-4-3-5-12(13)18)15-11-14(19(20,21)22)24-17(25-15)23-9-7-16(27)28/h3-6,11H,7-10H2,1-2H3,(H,27,28)(H,23,24,25) |
| InChIKey | InChI | 1.06 | XCSAYKLWHFZVRD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)CCN(c2cc(nc(NCCC(O)=O)n2)C(F)(F)F)c3ccccc13 |
| SMILES | CACTVS | 3.385 | CC1(C)CCN(c2cc(nc(NCCC(O)=O)n2)C(F)(F)F)c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(CCN(c2c1cccc2)c3cc(nc(n3)NCCC(=O)O)C(F)(F)F)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CCN(c2c1cccc2)c3cc(nc(n3)NCCC(=O)O)C(F)(F)F)C |
