JEV
Summary
| Name: | N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide |
| Synonyms: | Ramelteon |
| Formula: | C16 H21 N O2 |
| Formal charge: | 0 |
| Formula weight: | 259.343 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[2-[(8~{S})-2,6,7,8-tetrahydro-1~{H}-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(NC(CC)=O)CC3CCc2ccc1OCCc1c23 |
| InChI | InChI | 1.03 | InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | YLXDSYKOBKBWJQ-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)NCC[C@@H]1CCc2ccc3OCCc3c12 |
| SMILES | CACTVS | 3.385 | CCC(=O)NCC[CH]1CCc2ccc3OCCc3c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCC(=O)NCC[C@@H]1CCc2c1c3c(cc2)OCC3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 |
