SRK
Summary
| Name: | 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid |
| Formula: | C12 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 219.237 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H13NO3/c14-11(5-6-12(15)16)13-8-7-9-3-1-2-4-10(9)13/h1-4H,5-8H2,(H,15,16) |
| InChIKey | InChI | 1.03 | SWNRXQYQTQVWKA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCC(=O)N1CCc2ccccc12 |
| SMILES | CACTVS | 3.385 | OC(=O)CCC(=O)N1CCc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CCN2C(=O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CCN2C(=O)CCC(=O)O |
