diethyl 5-[(3-bromanyl-1-adamantyl)carbonyloxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(3-bromanyl-1-adamantyl)carbonyloxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[(3-bromoadamantane-1-carbonyl)oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[(3-bromo-1-adamantyl)-oxomethoxy]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(3-bromoadamantane-1-carbonyl)oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[(3-bromoadamantane-1-carbonyl)oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C23H30BrNO6 MolecularWeight: 496.3914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C23H30BrNO6/c1-4-29-19(26)17-13(3)18(20(27)30-5-2)25-16(17)11-31-21(28)22-7-14-6-15(8-22)10-23(24,9-14)12-22/h14-15,25H,4-12H2,1-3H3