[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-oxidanylidene-4-(4-propylphenyl)butanoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-oxidanylidene-4-(4-propylphenyl)butanoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-oxo-4-(4-propylphenyl)butanoate CAS Name: 4-oxo-4-(4-propylphenyl)butanoic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-oxo-4-(4-propylphenyl)butanoate Traditional Name: 4-keto-4-(4-propylphenyl)butyric acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)C2=C(N(C(=C2)C)C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)C2=C(N(C(=C2)C)C)C

InChI

InChI=1S/C22H27NO4/c1-5-6-17-7-9-18(10-8-17)20(24)11-12-22(26)27-14-21(25)19-13-15(2)23(4)16(19)3/h7-10,13H,5-6,11-12,14H2,1-4H3