OZM
Summary
| Name: | (6-benzyl-1-benzofuran-3-yl)acetic acid |
| Formula: | C17 H14 O3 |
| Formal charge: | 0 |
| Formula weight: | 266.291 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6-benzyl-1-benzofuran-3-yl)acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-[6-(phenylmethyl)-1-benzofuran-3-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(c1ccc2c(CC(O)=O)coc2c1)c3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C17H14O3/c18-17(19)10-14-11-20-16-9-13(6-7-15(14)16)8-12-4-2-1-3-5-12/h1-7,9,11H,8,10H2,(H,18,19) |
| InChIKey | InChI | 1.03 | NANLKTVMZIVCBJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1coc2cc(Cc3ccccc3)ccc12 |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1coc2cc(Cc3ccccc3)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cc2ccc3c(c2)occ3CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cc2ccc3c(c2)occ3CC(=O)O |
