(E)-1-(1-adamantyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(1-adamantyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-(1-adamantyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-(1-adamantyl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(1-adamantyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(1-adamantyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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