57Q
Summary
| Name: | 3-(2-phenyl-1H-indol-1-yl)propanoic acid |
| Formula: | C17 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 265.306 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(2-phenyl-1H-indol-1-yl)propanoic acid |
| OpenEye OEToolkits | 1.9.2 | 3-(2-phenylindol-1-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(CCn1c(cc2c1cccc2)c3ccccc3)O |
| InChI | InChI | 1.03 | InChI=1S/C17H15NO2/c19-17(20)10-11-18-15-9-5-4-8-14(15)12-16(18)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,20) |
| InChIKey | InChI | 1.03 | CPWLVJORIJEUHI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCn1c2ccccc2cc1c3ccccc3 |
| SMILES | CACTVS | 3.385 | OC(=O)CCn1c2ccccc2cc1c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2cc3ccccc3n2CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2cc3ccccc3n2CCC(=O)O |
