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

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 4-[[(2R)-tetrahydrofuran-2-yl]methoxy]benzoate CAS Name: 4-[[(2R)-2-oxolanyl]methoxy]benzoic 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] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate Traditional Name: 4-[[(2R)-tetrahydrofuran-2-yl]methoxy]benzoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=CC=C(C=C2)OCC3CCCO3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=CC=C(C=C2)OC[C@H]3CCCO3

InChI

InChI=1S/C22H25NO6/c1-13-20(15(3)24)14(2)23-21(13)19(25)12-29-22(26)16-6-8-17(9-7-16)28-11-18-5-4-10-27-18/h6-9,18,23H,4-5,10-12H2,1-3H3/t18-/m1/s1