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 |