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

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 4-butoxy-3-methoxy-benzoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 4-butoxy-3-methoxy-benzoate CAS Name: 4-butoxy-3-methoxybenzoic 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-butoxy-3-methoxybenzoate Traditional Name: 4-butoxy-3-methoxy-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:

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(C(=C(N2)C)C(=O)C)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(C(=C(N2)C)C(=O)C)C)OC

InChI

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