6EZ
Summary
| Name: | (3-exo)-N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide |
| Formula: | C20 H21 F N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 340.391 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3-exo)-N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide |
| OpenEye OEToolkits | 2.0.4 | (1~{S},5~{R})-~{N}-[2-azanyl-5-(4-fluorophenyl)phenyl]-8-oxabicyclo[3.2.1]octane-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(F)ccc(cc1)c2cc(c(cc2)N)NC(C3CC4CCC(C3)O4)=O |
| InChI | InChI | 1.03 | InChI=1S/C20H21FN2O2/c21-15-4-1-12(2-5-15)13-3-8-18(22)19(11-13)23-20(24)14-9-16-6-7-17(10-14)25-16/h1-5,8,11,14,16-17H,6-7,9-10,22H2,(H,23,24)/t14-,16-,17+ |
| InChIKey | InChI | 1.03 | SBKJRDAJADZOCH-XGBSXSJOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(cc1NC(=O)[C@H]2C[C@@H]3CC[C@H](C2)O3)c4ccc(F)cc4 |
| SMILES | CACTVS | 3.385 | Nc1ccc(cc1NC(=O)[CH]2C[CH]3CC[CH](C2)O3)c4ccc(F)cc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1c2ccc(c(c2)NC(=O)C3C[C@H]4CC[C@@H](C3)O4)N)F |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1c2ccc(c(c2)NC(=O)C3CC4CCC(C3)O4)N)F |
