[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-(2,5-dimethylphenyl)carbonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-(2,5-dimethylphenyl)carbonylbenzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2,5-dimethylbenzoyl)benzoate CAS Name: 2-[(2,5-dimethylphenyl)-oxomethyl]benzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2,5-dimethylbenzoyl)benzoate Traditional Name: 2-(2,5-dimethylbenzoyl)benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C22H19NO4 MolecularWeight: 361.39056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C2=CC=CC=C2C(=O)OCC(=O)C3=CC=CN3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C2=CC=CC=C2C(=O)OCC(=O)C3=CC=CN3

InChI

InChI=1S/C22H19NO4/c1-14-9-10-15(2)18(12-14)21(25)16-6-3-4-7-17(16)22(26)27-13-20(24)19-8-5-11-23-19/h3-12,23H,13H2,1-2H3