87L
Summary
| Name: | (2S)-2-phenyl-2-pyrrol-1-yl-ethanoic acid |
| Formula: | C12 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 201.221 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-phenyl-2-pyrrol-1-yl-ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H11NO2/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10/h1-9,11H,(H,14,15)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | FNRJAIIHCKGTCV-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H](n1cccc1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH](n1cccc1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)[C@@H](C(=O)O)n2cccc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(C(=O)O)n2cccc2 |
