3ZV
Summary
| Name: | 5-methoxy-2-(4-methoxyphenyl)-3H-indol-3-one |
| Formula: | C16 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 267.279 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-methoxy-2-(4-methoxyphenyl)-3H-indol-3-one |
| OpenEye OEToolkits | 1.9.2 | 5-methoxy-2-(4-methoxyphenyl)indol-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c3cc(OC)ccc3N=C1c2ccc(OC)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C16H13NO3/c1-19-11-5-3-10(4-6-11)15-16(18)13-9-12(20-2)7-8-14(13)17-15/h3-9H,1-2H3 |
| InChIKey | InChI | 1.03 | VCLRIWYAOAOICS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)C2=Nc3ccc(OC)cc3C2=O |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)C2=Nc3ccc(OC)cc3C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1ccc(cc1)C2=Nc3ccc(cc3C2=O)OC |
| SMILES | OpenEye OEToolkits | 1.9.2 | COc1ccc(cc1)C2=Nc3ccc(cc3C2=O)OC |
