A1IFU
Summary
| Name: | [(2~{R})-1-[[4-(4-chlorophenyl)phenyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid |
| Formula: | C18 H21 Cl N O4 P |
| Formal charge: | 0 |
| Formula weight: | 381.79 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R})-1-[[4-(4-chlorophenyl)phenyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H21ClNO4P/c1-12(2)11-17(25(22,23)24)18(21)20-16-9-5-14(6-10-16)13-3-7-15(19)8-4-13/h3-10,12,17H,11H2,1-2H3,(H,20,21)(H2,22,23,24)/t17-/m1/s1 |
| InChIKey | InChI | 1.06 | QFRMEIBQCNKVJN-QGZVFWFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](C(=O)Nc1ccc(cc1)c2ccc(Cl)cc2)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](C(=O)Nc1ccc(cc1)c2ccc(Cl)cc2)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@H](C(=O)Nc1ccc(cc1)c2ccc(cc2)Cl)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(C(=O)Nc1ccc(cc1)c2ccc(cc2)Cl)P(=O)(O)O |
