[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 4-(4-methoxyphenoxy)butanoate

Systemtic Name: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 4-(4-methoxyphenoxy)butanoate Openeye Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 4-(4-methoxyphenoxy)butanoate CAS Name: 4-(4-methoxyphenoxy)butanoic acid [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 4-(4-methoxyphenoxy)butanoate Traditional Name: 4-(4-methoxyphenoxy)butyric acid [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)OC(=O)CCCOC2=CC=C(C=C2)OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)OC(=O)CCCOC2=CC=C(C=C2)OC

InChI

InChI=1S/C22H27NO6/c1-13-20(15(3)24)14(2)23-21(13)22(26)16(4)29-19(25)7-6-12-28-18-10-8-17(27-5)9-11-18/h8-11,16,23H,6-7,12H2,1-5H3/t16-/m0/s1