TLT
Summary
| Name: | Tolmetin |
| Formula: | C15 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 257.284 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetic acid |
| OpenEye OEToolkits | 1.7.2 | 2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)Cc2ccc(C(=O)c1ccc(cc1)C)n2C |
| SMILES_CANONICAL | CACTVS | 3.370 | Cn1c(CC(O)=O)ccc1C(=O)c2ccc(C)cc2 |
| SMILES | CACTVS | 3.370 | Cn1c(CC(O)=O)ccc1C(=O)c2ccc(C)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1ccc(cc1)C(=O)c2ccc(n2C)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | Cc1ccc(cc1)C(=O)c2ccc(n2C)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18) |
| InChIKey | InChI | 1.03 | UPSPUYADGBWSHF-UHFFFAOYSA-N |
