A1ECZ
Summary
| Name: | 5-[[[(3~{S})-6-ethoxy-3,4-dihydro-2~{H}-chromen-3-yl]carbonyl-methyl-amino]methyl]-2-methyl-furan-3-carboxylic acid |
| Formula: | C20 H23 N O6 |
| Formal charge: | 0 |
| Formula weight: | 373.4 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[[[(3~{S})-6-ethoxy-3,4-dihydro-2~{H}-chromen-3-yl]carbonyl-methyl-amino]methyl]-2-methyl-furan-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H23NO6/c1-4-25-15-5-6-18-13(8-15)7-14(11-26-18)19(22)21(3)10-16-9-17(20(23)24)12(2)27-16/h5-6,8-9,14H,4,7,10-11H2,1-3H3,(H,23,24)/t14-/m0/s1 |
| InChIKey | InChI | 1.06 | HTYBIMSPDCMSCK-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc2OC[C@H](Cc2c1)C(=O)N(C)Cc3oc(C)c(c3)C(O)=O |
| SMILES | CACTVS | 3.385 | CCOc1ccc2OC[CH](Cc2c1)C(=O)N(C)Cc3oc(C)c(c3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1ccc2c(c1)C[C@@H](CO2)C(=O)N(C)Cc3cc(c(o3)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1ccc2c(c1)CC(CO2)C(=O)N(C)Cc3cc(c(o3)C)C(=O)O |
