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

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 4-(3,4-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(3,4-dimethylphenyl)-4-oxobutanoic 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-(3,4-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethylphenyl)-4-keto-butyric acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)OCC(=O)C2=C(C(=C(N2)C)C(=O)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)OCC(=O)C2=C(C(=C(N2)C)C(=O)C)C)C

InChI

InChI=1S/C22H25NO5/c1-12-6-7-17(10-13(12)2)18(25)8-9-20(27)28-11-19(26)22-14(3)21(16(5)24)15(4)23-22/h6-7,10,23H,8-9,11H2,1-5H3