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

Systemtic Name: [2-[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[1-(3,4-dichlorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C25H27Cl2NO3 MolecularWeight: 460.39278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27Cl2NO3/c1-14-5-20(15(2)28(14)19-3-4-21(26)22(27)9-19)23(29)13-31-24(30)25-10-16-6-17(11-25)8-18(7-16)12-25/h3-5,9,16-18H,6-8,10-13H2,1-2H3