[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C28H32BrNO5 MolecularWeight: 542.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2COC3=CC=CC=C3O2)C)C(=O)COC(=O)C45CC6CC(C4)CC(C6)(C5)Br

Isomeric SMILES

CC1=CC(=C(N1CC2COC3=CC=CC=C3O2)C)C(=O)COC(=O)C45CC6CC(C4)CC(C6)(C5)Br

InChI

InChI=1S/C28H32BrNO5/c1-17-7-22(18(2)30(17)13-21-14-33-24-5-3-4-6-25(24)35-21)23(31)15-34-26(32)27-9-19-8-20(10-27)12-28(29,11-19)16-27/h3-7,19-21H,8-16H2,1-2H3