[2-(1-adamantyl)-2-oxidanylidene-ethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,4,5-trimethoxyphenyl)-2-propenoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-asarylacrylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C24H30O6 MolecularWeight: 414.4914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=CC(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=C/C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)OC)OC

InChI

InChI=1S/C24H30O6/c1-27-19-10-21(29-3)20(28-2)9-18(19)4-5-23(26)30-14-22(25)24-11-15-6-16(12-24)8-17(7-15)13-24/h4-5,9-10,15-17H,6-8,11-14H2,1-3H3/b5-4+