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

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] (2S)-2-(4-tert-butylphenoxy)propanoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] (2S)-2-(4-tert-butylphenoxy)propanoate CAS Name: (2S)-2-(4-tert-butylphenoxy)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] (2S)-2-(4-tert-butylphenoxy)propanoate Traditional Name: (2S)-2-(4-tert-butylphenoxy)propionic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C(C)OC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)[C@H](C)OC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C23H29NO5/c1-13-20(15(3)25)14(2)24-21(13)19(26)12-28-22(27)16(4)29-18-10-8-17(9-11-18)23(5,6)7/h8-11,16,24H,12H2,1-7H3/t16-/m0/s1