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

Systemtic Name: (E)-3-(1-adamantyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-3-(1-adamantyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one CAS Name: (E)-3-(1-adamantyl)-1-(3,5-dimethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-3-(1-adamantyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(1-adamantyl)-1-(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(=O)C=CC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

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

InChI

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