A1CLV
Summary
| Name: | (1R,2R)-2-(isoquinolin-6-yl)cyclopentane-1-carboxylic acid |
| Formula: | C15 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 241.285 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (1R,2R)-2-(isoquinolin-6-yl)cyclopentane-1-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | (1~{R},2~{R})-2-isoquinolin-6-ylcyclopentane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)C1CCCC1c1ccc2cnccc2c1 |
| InChI | InChI | 1.06 | InChI=1S/C15H15NO2/c17-15(18)14-3-1-2-13(14)11-4-5-12-9-16-7-6-10(12)8-11/h4-9,13-14H,1-3H2,(H,17,18)/t13-,14+/m0/s1 |
| InChIKey | InChI | 1.06 | XQTQKFJDRRKDSY-UONOGXRCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CCC[C@H]1c2ccc3cnccc3c2 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCC[CH]1c2ccc3cnccc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2cnccc2cc1[C@@H]3CCC[C@H]3C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2cnccc2cc1C3CCCC3C(=O)O |
