R4Q
Summary
| Name: | (3~{R})-1-[(2~{R})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid |
| Formula: | C24 H21 Cl F N O6 |
| Formal charge: | 0 |
| Formula weight: | 473.878 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-1-[(2~{R})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H21ClFNO6/c1-13(23(29)27-8-2-3-14(12-27)24(30)31)32-16-5-7-18-19(11-22(28)33-21(18)10-16)17-6-4-15(26)9-20(17)25/h4-7,9-11,13-14H,2-3,8,12H2,1H3,(H,30,31)/t13-,14-/m1/s1 |
| InChIKey | InChI | 1.03 | PFEKWBKJUBCXDT-ZIAGYGMSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](Oc1ccc2c(OC(=O)C=C2c3ccc(F)cc3Cl)c1)C(=O)N4CCC[C@H](C4)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](Oc1ccc2c(OC(=O)C=C2c3ccc(F)cc3Cl)c1)C(=O)N4CCC[CH](C4)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](C(=O)N1CCC[C@H](C1)C(=O)O)Oc2ccc3c(c2)OC(=O)C=C3c4ccc(cc4Cl)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)N1CCCC(C1)C(=O)O)Oc2ccc3c(c2)OC(=O)C=C3c4ccc(cc4Cl)F |
