[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate

Systemtic Name: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate Openeye Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate CAS Name: 4-benzoylbenzoic acid [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 4-benzoylbenzoate Traditional Name: 4-benzoylbenzoic acid [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C25H23NO5 MolecularWeight: 417.45382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H23NO5/c1-14-21(16(3)27)15(2)26-22(14)23(28)17(4)31-25(30)20-12-10-19(11-13-20)24(29)18-8-6-5-7-9-18/h5-13,17,26H,1-4H3/t17-/m0/s1