XMZ
Summary
| Name: | 3-(3-ethoxy-5-methyl-pyridin-4-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid |
| Formula: | C20 H22 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 338.4 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(3-ethoxy-5-methyl-pyridin-4-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H22N2O3/c1-5-25-15-10-21-9-12(4)16(15)17-14-8-6-7-13(11(2)3)18(14)22-19(17)20(23)24/h6-11,22H,5H2,1-4H3,(H,23,24) |
| InChIKey | InChI | 1.06 | DOUTYJZPRYELQE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1cncc(C)c1c2c([nH]c3c(cccc23)C(C)C)C(O)=O |
| SMILES | CACTVS | 3.385 | CCOc1cncc(C)c1c2c([nH]c3c(cccc23)C(C)C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1cncc(c1c2c3cccc(c3[nH]c2C(=O)O)C(C)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1cncc(c1c2c3cccc(c3[nH]c2C(=O)O)C(C)C)C |
