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

Systemtic Name: (E)-1-(1-adamantyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one Openeye Name: (E)-1-(1-adamantyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one CAS Name: (E)-1-(1-adamantyl)-3-(2,5-dimethylphenyl)-2-propen-1-one IUPAC Name: (E)-1-(1-adamantyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(1-adamantyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one Formula: C21H26O MolecularWeight: 294.43054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C=CC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)/C=C/C(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H26O/c1-14-3-4-15(2)19(7-14)5-6-20(22)21-11-16-8-17(12-21)10-18(9-16)13-21/h3-7,16-18H,8-13H2,1-2H3/b6-5+