A1ICN
Summary
| Name: | 2-[(2~{S})-5-chloranyl-2-phenyl-2-[(2~{S})-pyrrolidin-2-yl]-3~{H}-1-benzofuran-4-yl]-3-fluoranyl-4-methoxy-benzamide |
| Formula: | C26 H24 Cl F N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 466.932 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(2~{S})-5-chloranyl-2-phenyl-2-[(2~{S})-pyrrolidin-2-yl]-3~{H}-1-benzofuran-4-yl]-3-fluoranyl-4-methoxy-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H24ClFN2O3/c1-32-20-11-9-16(25(29)31)23(24(20)28)22-17-14-26(21-8-5-13-30-21,15-6-3-2-4-7-15)33-19(17)12-10-18(22)27/h2-4,6-7,9-12,21,30H,5,8,13-14H2,1H3,(H2,29,31)/t21-,26-/m0/s1 |
| InChIKey | InChI | 1.06 | ICQIMDKJYGSHPF-LVXARBLLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(C(N)=O)c(c1F)c2c(Cl)ccc3O[C@](Cc23)([C@@H]4CCCN4)c5ccccc5 |
| SMILES | CACTVS | 3.385 | COc1ccc(C(N)=O)c(c1F)c2c(Cl)ccc3O[C](Cc23)([CH]4CCCN4)c5ccccc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(c(c1F)c2c(ccc3c2C[C@](O3)(c4ccccc4)[C@@H]5CCCN5)Cl)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(c(c1F)c2c(ccc3c2CC(O3)(c4ccccc4)C5CCCN5)Cl)C(=O)N |
