[2-[2,4-di(propan-2-yl)phenyl]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[2,4-di(propan-2-yl)phenyl]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(2,4-diisopropylphenyl)-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(2,4-diisopropylphenyl)-2-keto-ethyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)C(=O)COC(=O)C2=CC(=CN2)C(=O)C)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)C(=O)COC(=O)C2=CC(=CN2)C(=O)C)C(C)C

InChI

InChI=1S/C21H25NO4/c1-12(2)15-6-7-17(18(8-15)13(3)4)20(24)11-26-21(25)19-9-16(10-22-19)14(5)23/h6-10,12-13,22H,11H2,1-5H3