RDO
ethyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate
Created: | 2022-11-29 |
Last modified: | 2022-12-14 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 38 |
Chiral Atom Count | 0 |
Bond Count | 39 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | ethyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate |
Systematic Name (OpenEye OEToolkits) | ethyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate |
Formula | C15 H16 F3 N O3 |
Molecular Weight | 315.288 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CCOC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F |
SMILES | OpenEye OEToolkits | 3.1.0.0 | CCOC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F |
Canonical SMILES | CACTVS | 3.385 | CCOC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F |
Canonical SMILES | OpenEye OEToolkits | 3.1.0.0 | CCOC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F |
InChI | InChI | 1.06 | InChI=1S/C15H16F3NO3/c1-2-22-14(21)7-6-13(20)19-9-8-10-11(15(16,17)18)4-3-5-12(10)19/h3-5H,2,6-9H2,1H3 |
InChIKey | InChI | 1.06 | ZUBJCDWADSBMLA-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 166001316 |