A1CLZ
Summary
| Name: | (2P)-2-(isoquinolin-6-yl)cyclopent-1-ene-1-carboxylic acid |
| Formula: | C15 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 239.269 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2P)-2-(isoquinolin-6-yl)cyclopent-1-ene-1-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | 2-isoquinolin-6-ylcyclopentene-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)C=1CCCC=1c1ccc2cnccc2c1 |
| InChI | InChI | 1.06 | InChI=1S/C15H13NO2/c17-15(18)14-3-1-2-13(14)11-4-5-12-9-16-7-6-10(12)8-11/h4-9H,1-3H2,(H,17,18) |
| InChIKey | InChI | 1.06 | IYHZUWINIFYHSN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1=C(CCC1)c2ccc3cnccc3c2 |
| SMILES | CACTVS | 3.385 | OC(=O)C1=C(CCC1)c2ccc3cnccc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2cnccc2cc1C3=C(CCC3)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2cnccc2cc1C3=C(CCC3)C(=O)O |
