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

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic 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] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC(=O)C1=C(C(=C(N1)C)C(=O)C)C)OC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C(=O)OCC(=O)C1=C(C(=C(N1)C)C(=O)C)C)OC2=CC=CC=C2

InChI

InChI=1S/C20H23NO5/c1-5-17(26-15-9-7-6-8-10-15)20(24)25-11-16(23)19-12(2)18(14(4)22)13(3)21-19/h6-10,17,21H,5,11H2,1-4H3/t17-/m1/s1