LD9
Summary
| Name: | [6-(phenylamino)-1-benzofuran-3-yl]acetic acid |
| 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 | [6-(phenylamino)-1-benzofuran-3-yl]acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-(6-phenylazanyl-1-benzofuran-3-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(O)(Cc2coc3cc(Nc1ccccc1)ccc23)=O |
| InChI | InChI | 1.03 | InChI=1S/C16H13NO3/c18-16(19)8-11-10-20-15-9-13(6-7-14(11)15)17-12-4-2-1-3-5-12/h1-7,9-10,17H,8H2,(H,18,19) |
| InChIKey | InChI | 1.03 | OMQCVWMJZNPZAM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1coc2cc(Nc3ccccc3)ccc12 |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1coc2cc(Nc3ccccc3)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O |
