diethyl 5-[2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoyloxy]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoyloxy]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[2-[(5S,7R)-3-bromo-1-adamantyl]acetyl]oxybenzene-1,3-dicarboxylate CAS Name: 5-[2-[(5S,7R)-3-bromo-1-adamantyl]-1-oxoethoxy]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2-[(5S,7R)-3-bromo-1-adamantyl]acetyl]oxybenzene-1,3-dicarboxylate Traditional Name: 5-[2-[(5S,7R)-3-bromo-1-adamantyl]acetyl]oxybenzene-1,3-dicarboxylic acid diethyl ester Formula: C24H29BrO6 MolecularWeight: 493.38746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)OC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br)C(=O)OCC

InChI

InChI=1S/C24H29BrO6/c1-3-29-21(27)17-6-18(22(28)30-4-2)8-19(7-17)31-20(26)13-23-9-15-5-16(10-23)12-24(25,11-15)14-23/h6-8,15-16H,3-5,9-14H2,1-2H3/t15-,16+,23?,24?