A1EHA
Summary
| Name: | 1-[1-[2,5-dimethoxy-4-[(1~{S})-1-oxidanylethyl]phenyl]indolizin-3-yl]ethanone |
| Formula: | C20 H21 N O4 |
| Formal charge: | 0 |
| Formula weight: | 339.385 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[1-[2,5-dimethoxy-4-[(1~{S})-1-oxidanylethyl]phenyl]indolizin-3-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H21NO4/c1-12(22)14-10-20(25-4)16(11-19(14)24-3)15-9-18(13(2)23)21-8-6-5-7-17(15)21/h5-12,22H,1-4H3/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | HZDNKVMOCMTBLZ-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(c(OC)cc1[C@H](C)O)c2cc(n3ccccc23)C(C)=O |
| SMILES | CACTVS | 3.385 | COc1cc(c(OC)cc1[CH](C)O)c2cc(n3ccccc23)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1cc(c(cc1OC)c2cc(n3c2cccc3)C(=O)C)OC)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1cc(c(cc1OC)c2cc(n3c2cccc3)C(=O)C)OC)O |
