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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H24O5 MolecularWeight: 368.42296

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)/C=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H24O5/c23-20(22-9-15-5-16(10-22)7-17(6-15)11-22)12-25-21(24)4-2-14-1-3-18-19(8-14)27-13-26-18/h1-4,8,15-17H,5-7,9-13H2/b4-2+