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

Systemtic Name: (E)-3-(1-adamantyl)-1-(2,5-dimethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-3-(1-adamantyl)-1-(2,5-dimethoxyphenyl)prop-2-en-1-one CAS Name: (E)-3-(1-adamantyl)-1-(2,5-dimethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-3-(1-adamantyl)-1-(2,5-dimethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(1-adamantyl)-1-(2,5-dimethoxyphenyl)prop-2-en-1-one Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)C=CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

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

InChI

InChI=1S/C21H26O3/c1-23-17-3-4-20(24-2)18(10-17)19(22)5-6-21-11-14-7-15(12-21)9-16(8-14)13-21/h3-6,10,14-16H,7-9,11-13H2,1-2H3/b6-5+