(5-ethanoyl-2-methoxy-phenyl)methyl 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate CAS Name: 4-cyano-2-methyl-5-(1-pyrrolyl)-3-furancarboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate Traditional Name: 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)OCC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)OCC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C21H18N2O5/c1-13(24)15-6-7-18(26-3)16(10-15)12-27-21(25)19-14(2)28-20(17(19)11-22)23-8-4-5-9-23/h4-10H,12H2,1-3H3