ethyl 5-(1-adamantylcarbonyloxy)-4-bromanyl-2-methanoyl-7-methyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-(1-adamantylcarbonyloxy)-4-bromanyl-2-methanoyl-7-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-(adamantane-1-carbonyloxy)-4-bromo-2-formyl-7-methyl-benzofuran-3-carboxylate CAS Name: 5-[1-adamantyl(oxo)methoxy]-4-bromo-2-formyl-7-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-(adamantane-1-carbonyloxy)-4-bromo-2-formyl-7-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-(adamantane-1-carbonyloxy)-4-bromo-2-formyl-7-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C24H25BrO6 MolecularWeight: 489.3557

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2C)OC(=O)C34CC5CC(C3)CC(C5)C4)Br)C=O

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2C)OC(=O)C34CC5CC(C3)CC(C5)C4)Br)C=O

InChI

InChI=1S/C24H25BrO6/c1-3-29-22(27)18-17(11-26)30-21-12(2)4-16(20(25)19(18)21)31-23(28)24-8-13-5-14(9-24)7-15(6-13)10-24/h4,11,13-15H,3,5-10H2,1-2H3