KUD
Summary
| Name: | [(1S,2R)-2-(benzenecarbonyl)cyclopentyl]acetic acid |
| Formula: | C14 H16 O3 |
| Formal charge: | 0 |
| Formula weight: | 232.275 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1S,2R)-2-(benzenecarbonyl)cyclopentyl]acetic acid |
| OpenEye OEToolkits | 2.0.6 | 2-[(1~{S},2~{R})-2-(phenylcarbonyl)cyclopentyl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2CCC(C(=O)c1ccccc1)C2CC(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C14H16O3/c15-13(16)9-11-7-4-8-12(11)14(17)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,16)/t11-,12+/m0/s1 |
| InChIKey | InChI | 1.03 | NMNCOSWJMSHIOO-NWDGAFQWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C[C@@H]1CCC[C@H]1C(=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)C[CH]1CCC[CH]1C(=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(=O)[C@@H]2CCC[C@H]2CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(=O)C2CCCC2CC(=O)O |
