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

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(1-adamantyl)-1-methyl-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 [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] (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-1-methyl-ethyl] ester Formula: C23H26O5 MolecularWeight: 382.44954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)/C=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H26O5/c1-14(22(25)23-10-16-6-17(11-23)8-18(7-16)12-23)28-21(24)5-3-15-2-4-19-20(9-15)27-13-26-19/h2-5,9,14,16-18H,6-8,10-13H2,1H3/b5-3+