SpectraBase Compound ID | 4hY8FOWjOF4 |
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InChI | InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20) |
InChIKey | NNYBQONXHNTVIJ-UHFFFAOYSA-N |
Mol Weight | 287.36 g/mol |
Molecular Formula | C17H21NO3 |
Exact Mass | 287.152144 g/mol |
SpectraBase Spectrum ID | IOJA8nLW9J6 |
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Name | Etodolac |
CAS Registry Number | 41340-25-4 |
Comments | Removed - expert review - decarboxylation issues |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C17H21NO3 |
InChI | InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20) |
InChIKey | NNYBQONXHNTVIJ-UHFFFAOYSA-N |
Molecular Weight | 287.359 g/mol |
SMILES | [nH]1c2c(c3c1C(CC(O)=O)(OCC3)CC)cccc2CC |
SPLASH | splash10-03di-0390000000-5f508926669132c79dcd |
Synonyms | (1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid 2-(1,8-diethyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl)acetic acid Pyrano[3,4-b]indole-1-acetic acid, 1,8-diethyl-1,3,4,9-tetrahydro- |
Wiley ID | 1507818 |