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

Systemtic Name: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 3-(2,3-dimethoxyphenyl)propanoate Openeye Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 3-(2,3-dimethoxyphenyl)propanoate CAS Name: 3-(2,3-dimethoxyphenyl)propanoic 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] 3-(2,3-dimethoxyphenyl)propanoate Traditional Name: 3-(2,3-dimethoxyphenyl)propionic 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)CCC2=C(C(=CC=C2)OC)OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)OC(=O)CCC2=C(C(=CC=C2)OC)OC

InChI

InChI=1S/C22H27NO6/c1-12-19(14(3)24)13(2)23-20(12)21(26)15(4)29-18(25)11-10-16-8-7-9-17(27-5)22(16)28-6/h7-9,15,23H,10-11H2,1-6H3/t15-/m0/s1