(4-tert-butylphenyl)methyl 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid (4-tert-butylbenzyl) ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)OCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)OCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C18H21NO3/c1-12(20)14-9-16(19-10-14)17(21)22-11-13-5-7-15(8-6-13)18(2,3)4/h5-10,19H,11H2,1-4H3