A1EVX
Summary
| Name: | 6-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-methyl-indole-3-carboxylic acid |
| Formula: | C28 H27 Cl2 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 540.438 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-methyl-indole-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C28H27Cl2N3O4/c1-32-14-20(28(34)35)19-8-7-17(13-24(19)32)33-11-9-18(10-12-33)36-15-21-26(31-37-27(21)16-5-6-16)25-22(29)3-2-4-23(25)30/h2-4,7-8,13-14,16,18H,5-6,9-12,15H2,1H3,(H,34,35) |
| InChIKey | InChI | 1.06 | RPVDFHPBGBMWID-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(C(O)=O)c2ccc(cc12)N3CCC(CC3)OCc4c(onc4c5c(Cl)cccc5Cl)C6CC6 |
| SMILES | CACTVS | 3.385 | Cn1cc(C(O)=O)c2ccc(cc12)N3CCC(CC3)OCc4c(onc4c5c(Cl)cccc5Cl)C6CC6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(c2c1cc(cc2)N3CCC(CC3)OCc4c(noc4C5CC5)c6c(cccc6Cl)Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(c2c1cc(cc2)N3CCC(CC3)OCc4c(noc4C5CC5)c6c(cccc6Cl)Cl)C(=O)O |
