A1BGG
Summary
| Name: | 1-[(1M)-1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one |
| Formula: | C15 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 243.301 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-[(1M)-1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one |
| OpenEye OEToolkits | 3.1.0.0 | 1-[1-(3-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(=O)c1cc(C)n(c2cc(ccc2)OC)c1C |
| InChI | InChI | 1.06 | InChI=1S/C15H17NO2/c1-10-8-15(12(3)17)11(2)16(10)13-6-5-7-14(9-13)18-4/h5-9H,1-4H3 |
| InChIKey | InChI | 1.06 | PAURXNMSOODOFF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)n2c(C)cc(C(C)=O)c2C |
| SMILES | CACTVS | 3.385 | COc1cccc(c1)n2c(C)cc(C(C)=O)c2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cc(c(n1c2cccc(c2)OC)C)C(=O)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cc(c(n1c2cccc(c2)OC)C)C(=O)C |
