VMR
Summary
| Name: | (4~{R})-4-[3-(4-chloranylphenoxy)phenyl]pyrrolidin-2-imine |
| Formula: | C16 H15 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 286.756 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{R})-4-[3-(4-chloranylphenoxy)phenyl]pyrrolidin-2-imine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H15ClN2O/c17-13-4-6-14(7-5-13)20-15-3-1-2-11(8-15)12-9-16(18)19-10-12/h1-8,12H,9-10H2,(H2,18,19)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | YHXWMEXRFSXVKK-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(Oc2cccc(c2)[C@@H]3CNC(=N)C3)cc1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(Oc2cccc(c2)[CH]3CNC(=N)C3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C\1/C[C@@H](CN1)c2cccc(c2)Oc3ccc(cc3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Oc2ccc(cc2)Cl)C3CC(=N)NC3 |
