0KI
Summary
| Name: | 7-chloranyl-5-ethyl-3-(3-hydroxy-3-oxopropyl)-1H-indole-2-carboxylic acid |
| Formula: | C14 H14 Cl N O4 |
| Formal charge: | 0 |
| Formula weight: | 295.718 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-chloranyl-5-ethyl-3-(3-hydroxy-3-oxopropyl)-1~{H}-indole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H14ClNO4/c1-2-7-5-9-8(3-4-11(17)18)13(14(19)20)16-12(9)10(15)6-7/h5-6,16H,2-4H2,1H3,(H,17,18)(H,19,20) |
| InChIKey | InChI | 1.03 | OGDRVLRXQXXAKP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1cc(Cl)c2[nH]c(C(O)=O)c(CCC(O)=O)c2c1 |
| SMILES | CACTVS | 3.385 | CCc1cc(Cl)c2[nH]c(C(O)=O)c(CCC(O)=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1cc2c(c([nH]c2c(c1)Cl)C(=O)O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1cc2c(c([nH]c2c(c1)Cl)C(=O)O)CCC(=O)O |
