SRH
ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate
Created: | 2020-11-30 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 35 |
Chiral Atom Count | 0 |
Bond Count | 36 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate |
Systematic Name (OpenEye OEToolkits) | ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate |
Formula | C14 H17 N O3 |
Molecular Weight | 247.29 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CCOC(=O)CCC(=O)N1CCc2ccccc12 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)CCC(=O)N1CCc2c1cccc2 |
Canonical SMILES | CACTVS | 3.385 | CCOC(=O)CCC(=O)N1CCc2ccccc12 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)CCC(=O)N1CCc2c1cccc2 |
InChI | InChI | 1.03 | InChI=1S/C14H17NO3/c1-2-18-14(17)8-7-13(16)15-10-9-11-5-3-4-6-12(11)15/h3-6H,2,7-10H2,1H3 |
InChIKey | InChI | 1.03 | YTMPPLAKDQKOFM-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 2140509 |