Q42
Summary
| Name: | (2S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid |
| Formula: | C9 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 169.221 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (2S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7+,8+/m1/s1 |
| InChIKey | InChI | 1.03 | CQYBNXGHMBNGCG-CSMHCCOUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1C[CH]2CCCC[CH]2N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1CC[C@H]2[C@H](C1)C[C@H](N2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CCC2C(C1)CC(N2)C(=O)O |
