PWF
Summary
| Name: | 2-phenylethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Formula: | C18 H18 O4 |
| Formal charge: | 0 |
| Formula weight: | 298.333 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-phenylethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| OpenEye OEToolkits | 1.7.6 | 2-phenylethyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCCc1ccccc1)\C=C\c2cc(OC)c(O)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C18H18O4/c1-21-17-13-15(7-9-16(17)19)8-10-18(20)22-12-11-14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3/b10-8+ |
| InChIKey | InChI | 1.03 | CZQNYPBIOHVQQN-CSKARUKUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1O)\C=C\C(=O)OCCc2ccccc2 |
| SMILES | CACTVS | 3.385 | COc1cc(ccc1O)C=CC(=O)OCCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cc(ccc1O)/C=C/C(=O)OCCc2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1cc(ccc1O)C=CC(=O)OCCc2ccccc2 |
