A1IQ0
Summary
| Name: | methyl (~{Z})-3-(4-ethynoxy-3,5-dimethoxy-phenyl)-2-methyl-prop-2-enoate |
| Formula: | C16 H18 O5 |
| Formal charge: | 0 |
| Formula weight: | 290.311 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl (~{Z})-3-(3,5-dimethoxy-4-prop-2-ynoxy-phenyl)-2-methyl-prop-2-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H18O5/c1-6-7-21-15-13(18-3)9-12(10-14(15)19-4)8-11(2)16(17)20-5/h1,8-10H,7H2,2-5H3/b11-8- |
| InChIKey | InChI | 1.06 | BIIWHDQIRRXQOT-FLIBITNWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)\C(C)=C/c1cc(OC)c(OCC#C)c(OC)c1 |
| SMILES | CACTVS | 3.385 | COC(=O)C(C)=Cc1cc(OC)c(OCC#C)c(OC)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C(=C/c1cc(c(c(c1)OC)OCC#C)OC)/C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=Cc1cc(c(c(c1)OC)OCC#C)OC)C(=O)OC |
