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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dimethoxyphenyl)-2-propenoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dimethoxyphenyl)acrylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H28O5 MolecularWeight: 384.46542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28O5/c1-26-19-5-3-15(10-20(19)27-2)4-6-22(25)28-14-21(24)23-11-16-7-17(12-23)9-18(8-16)13-23/h3-6,10,16-18H,7-9,11-14H2,1-2H3/b6-4+