QBN
Summary
| Name: | 2-[4-[(~{Z})-1,2-diphenylbut-1-enyl]phenoxy]-~{N}-methyl-ethanamine |
| Formula: | C25 H27 N O |
| Formal charge: | 0 |
| Formula weight: | 357.488 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[4-[(~{Z})-1,2-diphenylbut-1-enyl]phenoxy]-~{N}-methyl-ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H27NO/c1-3-24(20-10-6-4-7-11-20)25(21-12-8-5-9-13-21)22-14-16-23(17-15-22)27-19-18-26-2/h4-17,26H,3,18-19H2,1-2H3/b25-24- |
| InChIKey | InChI | 1.03 | NYDCDZSEEAUOHN-IZHYLOQSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(\c1ccccc1)=C(/c2ccccc2)c3ccc(OCCNC)cc3 |
| SMILES | CACTVS | 3.385 | CCC(c1ccccc1)=C(c2ccccc2)c3ccc(OCCNC)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCNC)/c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=C(c1ccccc1)c2ccc(cc2)OCCNC)c3ccccc3 |
