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

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,3-dimethoxyphenyl)-2-propenoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2,3-dimethoxyphenyl)acrylic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C24H30O5 MolecularWeight: 398.492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C=CC4=C(C(=CC=C4)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H30O5/c1-15(23(26)24-12-16-9-17(13-24)11-18(10-16)14-24)29-21(25)8-7-19-5-4-6-20(27-2)22(19)28-3/h4-8,15-18H,9-14H2,1-3H3/b8-7+