methyl (E)-3-[4-[2-(3-bromanyl-1-adamantyl)ethanoyloxy]-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-[2-(3-bromanyl-1-adamantyl)ethanoyloxy]-3-methoxy-phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-[2-(3-bromo-1-adamantyl)acetyl]oxy-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-[2-(3-bromo-1-adamantyl)-1-oxoethoxy]-3-methoxyphenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[2-(3-bromo-1-adamantyl)acetyl]oxy-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-[2-(3-bromo-1-adamantyl)acetyl]oxy-3-methoxy-phenyl]acrylic acid methyl ester Formula: C23H27BrO5 MolecularWeight: 463.36148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OC)OC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OC)OC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C23H27BrO5/c1-27-19-8-15(4-6-20(25)28-2)3-5-18(19)29-21(26)13-22-9-16-7-17(10-22)12-23(24,11-16)14-22/h3-6,8,16-17H,7,9-14H2,1-2H3/b6-4+