dimethyl 1-cyclohexyl-2-(phenylcarbonyl)pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl 1-cyclohexyl-2-(phenylcarbonyl)pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 2-benzoyl-1-cyclohexyl-pyrrole-3,4-dicarboxylate CAS Name: 2-benzoyl-1-cyclohexylpyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-benzoyl-1-cyclohexylpyrrole-3,4-dicarboxylate Traditional Name: 2-benzoyl-1-cyclohexyl-pyrrole-3,4-dicarboxylic acid dimethyl ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=C1C(=O)OC)C(=O)C2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

COC(=O)C1=CN(C(=C1C(=O)OC)C(=O)C2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C21H23NO5/c1-26-20(24)16-13-22(15-11-7-4-8-12-15)18(17(16)21(25)27-2)19(23)14-9-5-3-6-10-14/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3