UQZ
Summary
| Name: | ~{N}-[(1~{S})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{N}-propyl-prop-2-enamide |
| Formula: | C22 H24 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 396.436 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(1~{S})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{N}-propyl-prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H24N2O5/c1-3-10-24(20(26)4-2)21(16-6-5-7-17(25)12-16)22(27)23-13-15-8-9-18-19(11-15)29-14-28-18/h4-9,11-12,21,25H,2-3,10,13-14H2,1H3,(H,23,27)/t21-/m0/s1 |
| InChIKey | InChI | 1.03 | BMXUYKHPBOFWRQ-NRFANRHFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCN([C@H](C(=O)NCc1ccc2OCOc2c1)c3cccc(O)c3)C(=O)C=C |
| SMILES | CACTVS | 3.385 | CCCN([CH](C(=O)NCc1ccc2OCOc2c1)c3cccc(O)c3)C(=O)C=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCN([C@@H](c1cccc(c1)O)C(=O)NCc2ccc3c(c2)OCO3)C(=O)C=C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCN(C(c1cccc(c1)O)C(=O)NCc2ccc3c(c2)OCO3)C(=O)C=C |
