5M7
Summary
| Name: | 6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid |
| Formula: | C21 H19 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 366.841 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H19ClN2O2/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21(25)26)20(23-17)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,25,26) |
| InChIKey | InChI | 1.03 | URBVMCHIBNRDKB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1c(nc2ccc(Cl)cc2c1c3ccccc3)N4CCCCC4 |
| SMILES | CACTVS | 3.385 | OC(=O)c1c(nc2ccc(Cl)cc2c1c3ccccc3)N4CCCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)c2c3cc(ccc3nc(c2C(=O)O)N4CCCCC4)Cl |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)c2c3cc(ccc3nc(c2C(=O)O)N4CCCCC4)Cl |
