[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid [2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H28BrNO3 MolecularWeight: 422.35592

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br)C

InChI

InChI=1S/C21H28BrNO3/c1-4-23-13(2)5-17(14(23)3)18(24)11-26-19(25)20-7-15-6-16(8-20)10-21(22,9-15)12-20/h5,15-16H,4,6-12H2,1-3H3/t15-,16+,20?,21?