A1IQ0

methyl (~{Z})-3-(4-ethynoxy-3,5-dimethoxy-phenyl)-2-methyl-prop-2-enoate

Created:2024-10-03
Last modified:  2025-03-26

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Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count0
Bond Count39
Aromatic Bond Count6
2D diagram of A1IQ0

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Chemical Component Summary

Namemethyl (~{Z})-3-(4-ethynoxy-3,5-dimethoxy-phenyl)-2-methyl-prop-2-enoate
Systematic Name (OpenEye OEToolkits)methyl (~{Z})-3-(3,5-dimethoxy-4-prop-2-ynoxy-phenyl)-2-methyl-prop-2-enoate
FormulaC16 H18 O5
Molecular Weight290.311
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385COC(=O)C(C)=Cc1cc(OC)c(OCC#C)c(OC)c1
SMILESOpenEye OEToolkits2.0.7CC(=Cc1cc(c(c(c1)OC)OCC#C)OC)C(=O)OC
Canonical SMILESCACTVS3.385 COC(=O)\C(C)=C/c1cc(OC)c(OCC#C)c(OC)c1
Canonical SMILESOpenEye OEToolkits2.0.7 C/C(=C/c1cc(c(c(c1)OC)OCC#C)OC)/C(=O)OC
InChIInChI1.06 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-
InChIKeyInChI1.06 BIIWHDQIRRXQOT-FLIBITNWSA-N