VIW
Summary
| Name: | 3-[3-(3-azanyl-2-cyano-phenyl)indol-1-yl]propanoic acid |
| Formula: | C18 H15 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 305.331 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[3-(3-azanyl-2-cyano-phenyl)indol-1-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H15N3O2/c19-10-14-12(5-3-6-16(14)20)15-11-21(9-8-18(22)23)17-7-2-1-4-13(15)17/h1-7,11H,8-9,20H2,(H,22,23) |
| InChIKey | InChI | 1.06 | BKQXGEWLSIEDTQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc(c2cn(CCC(O)=O)c3ccccc23)c1C#N |
| SMILES | CACTVS | 3.385 | Nc1cccc(c2cn(CCC(O)=O)c3ccccc23)c1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(cn2CCC(=O)O)c3cccc(c3C#N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(cn2CCC(=O)O)c3cccc(c3C#N)N |
