[1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H26BrNO6 MolecularWeight: 480.34894

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OC(C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OC(C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C)OC

InChI

InChI=1S/C22H26BrNO6/c1-7-8-29-21-16(23)9-15(10-17(21)28-6)22(27)30-14(5)20(26)19-11(2)18(13(4)25)12(3)24-19/h9-10,14,24H,7-8H2,1-6H3