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

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 3-(4-tert-butylphenyl)propanoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 3-(4-tert-butylphenyl)propanoate CAS Name: 3-(4-tert-butylphenyl)propanoic 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] 3-(4-tert-butylphenyl)propanoate Traditional Name: 3-(4-tert-butylphenyl)propionic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)CCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)CCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C23H29NO4/c1-14-21(16(3)25)15(2)24-22(14)19(26)13-28-20(27)12-9-17-7-10-18(11-8-17)23(4,5)6/h7-8,10-11,24H,9,12-13H2,1-6H3