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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O3/c1-23-18-8-14(9-19(10-18)24-2)3-4-20(22)21-11-15-5-16(12-21)7-17(6-15)13-21/h3-4,8-10,15-17H,5-7,11-13H2,1-2H3/b4-3+