NTV
Summary
| Name: | (2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide |
| Formula: | C12 H14 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 239.698 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-~{N}-(3-chloranyl-2-methyl-phenyl)oxolane-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C(=O)C1CCCO1)c2cccc(c2C)Cl |
| InChI | InChI | 1.03 | InChI=1S/C12H14ClNO2/c1-8-9(13)4-2-5-10(8)14-12(15)11-6-3-7-16-11/h2,4-5,11H,3,6-7H2,1H3,(H,14,15)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | BKWNJEPRFSSIFE-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(Cl)cccc1NC(=O)[C@@H]2CCCO2 |
| SMILES | CACTVS | 3.385 | Cc1c(Cl)cccc1NC(=O)[CH]2CCCO2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(cccc1Cl)NC(=O)[C@@H]2CCCO2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(cccc1Cl)NC(=O)C2CCCO2 |
