(5-ethanoyl-2-methoxy-phenyl)methyl 4-pyrrol-1-ylbenzoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 4-pyrrol-1-ylbenzoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC=C(C=C2)N3C=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC=C(C=C2)N3C=CC=C3

InChI

InChI=1S/C21H19NO4/c1-15(23)17-7-10-20(25-2)18(13-17)14-26-21(24)16-5-8-19(9-6-16)22-11-3-4-12-22/h3-13H,14H2,1-2H3