CXQ
Summary
| Name: | benztropine |
| Formula: | C21 H25 N O |
| Formal charge: | 0 |
| Formula weight: | 307.429 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (1~{S},5~{R})-3-(diphenylmethyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+ |
| InChIKey | InChI | 1.03 | GIJXKZJWITVLHI-PMOLBWCYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c3ccccc3)c4ccccc4 |
| SMILES | CACTVS | 3.385 | CN1[CH]2CC[CH]1C[CH](C2)OC(c3ccccc3)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1[C@@H]2CC[C@H]1CC(C2)OC(c3ccccc3)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1C2CCC1CC(C2)OC(c3ccccc3)c4ccccc4 |
