[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [2-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C25H28BrNO4 MolecularWeight: 486.39812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C25H28BrNO4/c1-15-7-21(16(2)27(15)20-5-3-19(26)4-6-20)22(28)13-31-23(29)24-9-17-8-18(10-24)12-25(30,11-17)14-24/h3-7,17-18,30H,8-14H2,1-2H3