8QS
[(1R)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid
Find entries where: 8QS
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | [(1R)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid |
| Synonyms | (R)-Etodolac |
| Identifiers | 2-[(1~{R})-1,8-diethyl-4,9-dihydro-3~{H}-pyrano[3,4-b]indol-1-yl]ethanoic acid |
| Formula | C17 H21 N O3 |
| Molecular Weight | 287.354 |
| Type | NON-POLYMER |
| Isomeric SMILES | CCc1cccc2c1[nH]c3c2CCO[C@]3(CC)CC(=O)O |
| 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)/t17-/m1/s1 |
| InChIKey | NNYBQONXHNTVIJ-QGZVFWFLSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 42 |
| Chiral Atom Count | 1 |
| Bond Count | 44 |
| Aromatic Bond Count | 10 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 667528 |
| ChEMBL | CHEMBL1716091 |
| ChEBI | CHEBI:60370 |
| CCDC/CSD | DONSOO01, JUKPEN |
