ER6
Summary
| Name: | (3R)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid |
| Formula: | C17 H17 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 295.336 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H17N3O2/c21-17(22)12-5-3-9-19(11-12)16-15-8-4-10-20(15)14-7-2-1-6-13(14)18-16/h1-2,4,6-8,10,12H,3,5,9,11H2,(H,21,22)/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | IJWLQMUBOJDFNL-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CCCN(C1)c2nc3ccccc3n4cccc24 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCCN(C1)c2nc3ccccc3n4cccc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nc(c3n2ccc3)N4CCC[C@H](C4)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nc(c3n2ccc3)N4CCCC(C4)C(=O)O |
