T9B
Summary
| Name: | (2S)-N-(4-Methoxybenzyl)tetrahydrofuran-2-carboxamide |
| Synonyms: | (2~{S})-~{N}-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide |
| Formula: | C13 H17 N O3 |
| Formal charge: | 0 |
| Formula weight: | 235.279 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-~{N}-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H17NO3/c1-16-11-6-4-10(5-7-11)9-14-13(15)12-3-2-8-17-12/h4-7,12H,2-3,8-9H2,1H3,(H,14,15)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | VUHXHMGNBINEHD-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CNC(=O)[C@@H]2CCCO2)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(CNC(=O)[CH]2CCCO2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)CNC(=O)[C@@H]2CCCO2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)CNC(=O)C2CCCO2 |
