(E)-1-(1-adamantyl)-3-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(1-adamantyl)-3-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(1-adamantyl)-3-(3-bromo-4-ethoxy-5-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-(1-adamantyl)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(1-adamantyl)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(1-adamantyl)-3-(3-bromo-4-ethoxy-5-methoxy-phenyl)prop-2-en-1-one Formula: C22H27BrO3 MolecularWeight: 419.35198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C=CC(=O)C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)/C=C/C(=O)C23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C22H27BrO3/c1-3-26-21-18(23)9-14(10-19(21)25-2)4-5-20(24)22-11-15-6-16(12-22)8-17(7-15)13-22/h4-5,9-10,15-17H,3,6-8,11-13H2,1-2H3/b5-4+