[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=CN2)C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC(=CN2)C(=O)C

InChI

InChI=1S/C18H19NO4/c1-4-13-5-7-14(8-6-13)17(21)12(3)23-18(22)16-9-15(10-19-16)11(2)20/h5-10,12,19H,4H2,1-3H3/t12-/m0/s1