A1JEQ
Summary
| Name: | methyl 2-[(3~{S})-pyrrolidin-3-yl]-1~{H}-benzimidazole-5-carboxylate |
| Formula: | C13 H15 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 245.277 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 2-[(3~{S})-pyrrolidin-3-yl]-1~{H}-benzimidazole-5-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H15N3O2/c1-18-13(17)8-2-3-10-11(6-8)16-12(15-10)9-4-5-14-7-9/h2-3,6,9,14H,4-5,7H2,1H3,(H,15,16)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | FBNLOINYSAGAMH-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1ccc2[nH]c(nc2c1)[C@H]3CCNC3 |
| SMILES | CACTVS | 3.385 | COC(=O)c1ccc2[nH]c(nc2c1)[CH]3CCNC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)c1ccc2c(c1)nc([nH]2)[C@H]3CCNC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1ccc2c(c1)nc([nH]2)C3CCNC3 |
