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

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,4,5-trimethoxyphenyl)-2-propenoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-asarylacrylic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C25H32O6 MolecularWeight: 428.51798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C=CC4=CC(=C(C=C4OC)OC)OC

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)/C=C/C4=CC(=C(C=C4OC)OC)OC

InChI

InChI=1S/C25H32O6/c1-15(24(27)25-12-16-7-17(13-25)9-18(8-16)14-25)31-23(26)6-5-19-10-21(29-3)22(30-4)11-20(19)28-2/h5-6,10-11,15-18H,7-9,12-14H2,1-4H3/b6-5+