[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 4-phenoxybenzoate

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 4-phenoxybenzoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 4-phenoxybenzoate CAS Name: 4-phenoxybenzoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 4-phenoxybenzoate Traditional Name: 4-phenoxybenzoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C23H21NO5 MolecularWeight: 391.41654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C23H21NO5/c1-14-21(16(3)25)15(2)24-22(14)20(26)13-28-23(27)17-9-11-19(12-10-17)29-18-7-5-4-6-8-18/h4-12,24H,13H2,1-3H3