A1CL0
Summary
| Name: | (2M)-2-(quinoxalin-6-yl)cyclopent-1-ene-1-carboxylic acid |
| Formula: | C14 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 240.257 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2M)-2-(quinoxalin-6-yl)cyclopent-1-ene-1-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | 2-quinoxalin-6-ylcyclopentene-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)C=1CCCC=1c1cc2nccnc2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C14H12N2O2/c17-14(18)11-3-1-2-10(11)9-4-5-12-13(8-9)16-7-6-15-12/h4-8H,1-3H2,(H,17,18) |
| InChIKey | InChI | 1.06 | RJOAZSLBMIFWSS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1=C(CCC1)c2ccc3nccnc3c2 |
| SMILES | CACTVS | 3.385 | OC(=O)C1=C(CCC1)c2ccc3nccnc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1C3=C(CCC3)C(=O)O)nccn2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1C3=C(CCC3)C(=O)O)nccn2 |
