[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-(4-isopropylphenyl)-2-oxo-ethyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-cyclopropyl-2,5-dimethyl-3-pyrrolecarboxylic acid [2-oxo-2-(4-propan-2-ylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid (2-keto-2-p-cumenyl-ethyl) ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)OCC(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)OCC(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H25NO3/c1-13(2)16-5-7-17(8-6-16)20(23)12-25-21(24)19-11-14(3)22(15(19)4)18-9-10-18/h5-8,11,13,18H,9-10,12H2,1-4H3