XA9
Summary
| Name: | 3-(2-ethoxypyridin-3-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid |
| Formula: | C19 H20 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 324.374 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(2-ethoxypyridin-3-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H20N2O3/c1-4-24-18-14(9-6-10-20-18)15-13-8-5-7-12(11(2)3)16(13)21-17(15)19(22)23/h5-11,21H,4H2,1-3H3,(H,22,23) |
| InChIKey | InChI | 1.06 | FQMUHSXCUGVIDM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ncccc1c2c([nH]c3c(cccc23)C(C)C)C(O)=O |
| SMILES | CACTVS | 3.385 | CCOc1ncccc1c2c([nH]c3c(cccc23)C(C)C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1c(cccn1)c2c3cccc(c3[nH]c2C(=O)O)C(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1c(cccn1)c2c3cccc(c3[nH]c2C(=O)O)C(C)C |
