(E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one Openeye Name: (E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one CAS Name: (E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)-2-propen-1-one IUPAC Name: (E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one Traditional Name: (E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one Formula: C20H22O3 MolecularWeight: 310.38688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22O3/c21-19(4-2-13-1-3-17-18(8-13)23-12-22-17)20-9-14-5-15(10-20)7-16(6-14)11-20/h1-4,8,14-16H,5-7,9-12H2/b4-2+