[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 3-ethoxy-4-propoxy-benzoate

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 3-ethoxy-4-propoxy-benzoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic 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] 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(C(=C(N2)C)C(=O)C)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(C(=C(N2)C)C(=O)C)C)OCC

InChI

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