HLC
Summary
| Name: | 4-(4-chlorophenoxy)-N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide |
| Formula: | C14 H16 Cl N O4 |
| Formal charge: | 0 |
| Formula weight: | 297.734 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4-chlorophenoxy)-N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide |
| OpenEye OEToolkits | 1.7.0 | 4-(4-chlorophenoxy)-N-[(3S)-2-oxooxolan-3-yl]butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2OCCC2NC(=O)CCCOc1ccc(Cl)cc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | Clc1ccc(OCCCC(=O)N[C@H]2CCOC2=O)cc1 |
| SMILES | CACTVS | 3.370 | Clc1ccc(OCCCC(=O)N[CH]2CCOC2=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1OCCCC(=O)N[C@H]2CCOC2=O)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1OCCCC(=O)NC2CCOC2=O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C14H16ClNO4/c15-10-3-5-11(6-4-10)19-8-1-2-13(17)16-12-7-9-20-14(12)18/h3-6,12H,1-2,7-9H2,(H,16,17)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | BKVYYPQMGSVOHB-LBPRGKRZSA-N |
