methyl 3-[2-[3-(1-adamantyl)-4-methoxy-phenyl]-2-oxidanylidene-ethoxy]-4-(bromomethyl)benzoate

Systemtic Name: methyl 3-[2-[3-(1-adamantyl)-4-methoxy-phenyl]-2-oxidanylidene-ethoxy]-4-(bromomethyl)benzoate Openeye Name: methyl 3-[2-[3-(1-adamantyl)-4-methoxy-phenyl]-2-oxo-ethoxy]-4-(bromomethyl)benzoate CAS Name: 3-[2-[3-(1-adamantyl)-4-methoxyphenyl]-2-oxoethoxy]-4-(bromomethyl)benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(1-adamantyl)-4-methoxyphenyl]-2-oxoethoxy]-4-(bromomethyl)benzoate Traditional Name: 3-[2-[3-(1-adamantyl)-4-methoxy-phenyl]-2-keto-ethoxy]-4-(bromomethyl)benzoic acid methyl ester Formula: C28H31BrO5 MolecularWeight: 527.44674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC2=C(C=CC(=C2)C(=O)OC)CBr)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC2=C(C=CC(=C2)C(=O)OC)CBr)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H31BrO5/c1-32-25-6-5-20(10-23(25)28-12-17-7-18(13-28)9-19(8-17)14-28)24(30)16-34-26-11-21(27(31)33-2)3-4-22(26)15-29/h3-6,10-11,17-19H,7-9,12-16H2,1-2H3