UJX
Summary
| Name: | ethyl 2-acetamido-7-hydroxy-4-(pyridin-3-yl)-4H-chromene-3-carboxylate |
| Synonyms: | ethyl (4S)-2-acetamido-7-oxidanyl-4-pyridin-3-yl-4H-chromene-3-carboxylate ethyl 2-(acetylamino)-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carboxylate |
| Formula: | C19 H18 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 354.357 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ethyl (4~{S})-2-acetamido-7-oxidanyl-4-pyridin-3-yl-4~{H}-chromene-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H18N2O5/c1-3-25-19(24)17-16(12-5-4-8-20-10-12)14-7-6-13(23)9-15(14)26-18(17)21-11(2)22/h4-10,16,23H,3H2,1-2H3,(H,21,22)/t16-/m0/s1 |
| InChIKey | InChI | 1.06 | GGBHINRNYAAYMX-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2[C@@H]1c3cccnc3 |
| SMILES | CACTVS | 3.385 | CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2[CH]1c3cccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C1=C(Oc2cc(ccc2[C@@H]1c3cccnc3)O)NC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C1=C(Oc2cc(ccc2C1c3cccnc3)O)NC(=O)C |
