1-[5-(bromomethyl)-2-methoxy-phenyl]adamantane

Systemtic Name: 1-[5-(bromomethyl)-2-methoxy-phenyl]adamantane Openeye Name: 1-[5-(bromomethyl)-2-methoxy-phenyl]adamantane CAS Name: 1-[5-(bromomethyl)-2-methoxyphenyl]adamantane IUPAC Name: 1-[5-(bromomethyl)-2-methoxyphenyl]adamantane Traditional Name: 1-[5-(bromomethyl)-2-methoxy-phenyl]adamantane Formula: C18H23BrO MolecularWeight: 335.27862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CBr)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=C(C=C(C=C1)CBr)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H23BrO/c1-20-17-3-2-12(11-19)7-16(17)18-8-13-4-14(9-18)6-15(5-13)10-18/h2-3,7,13-15H,4-6,8-11H2,1H3