ETJ
Summary
| Name: | (3S,4R)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile |
| Synonyms: | Levcromakalim |
| Formula: | C16 H18 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 286.326 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S},4~{R})-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3/t14-,15+/m1/s1 |
| InChIKey | InChI | 1.03 | TVZCRIROJQEVOT-CABCVRRESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)N3CCCC3=O)C#N |
| SMILES | CACTVS | 3.385 | CC1(C)Oc2ccc(cc2[CH]([CH]1O)N3CCCC3=O)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1([C@H]([C@@H](c2cc(ccc2O1)C#N)N3CCCC3=O)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(C(C(c2cc(ccc2O1)C#N)N3CCCC3=O)O)C |
