SS8
Summary
| Name: | 3-PHENETHYL-4H-FURO[3,2-B]PYRROLE-5-CARBOXYLIC ACID |
| Formula: | C15 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 253.253 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(Z)-2-phenylethenyl]-4H-furo[3,2-b]pyrrole-5-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 3-[(Z)-2-phenylethenyl]-4H-furo[3,2-b]pyrrole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c3cc2occ(\C=C/c1ccccc1)c2n3 |
| InChI | InChI | 1.03 | InChI=1S/C15H11NO3/c17-15(18)12-8-13-14(16-12)11(9-19-13)7-6-10-4-2-1-3-5-10/h1-9,16H,(H,17,18)/b7-6- |
| InChIKey | InChI | 1.03 | VJXSERLPOOWZGU-SREVYHEPSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1[nH]c2c(occ2\C=C/c3ccccc3)c1 |
| SMILES | CACTVS | 3.370 | OC(=O)c1[nH]c2c(occ2C=Cc3ccccc3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)/C=C\c2coc3c2[nH]c(c3)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C=Cc2coc3c2[nH]c(c3)C(=O)O |
