AUQ
Summary
| Name: | (2~{S})-~{N}-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide |
| Formula: | C16 H16 I N O3 |
| Formal charge: | 0 |
| Formula weight: | 397.208 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-~{N}-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H16INO3/c1-11(21-15-9-7-14(20-2)8-10-15)16(19)18-13-5-3-12(17)4-6-13/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | OTYVYTRAYJQPRW-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(O[C@@H](C)C(=O)Nc2ccc(I)cc2)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(O[CH](C)C(=O)Nc2ccc(I)cc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](C(=O)Nc1ccc(cc1)I)Oc2ccc(cc2)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C(=O)Nc1ccc(cc1)I)Oc2ccc(cc2)OC |
