ethyl 2-(3-iodanylphenyl)-2-(2-pyrrol-1-ylphenoxy)butanoate

Systemtic Name: ethyl 2-(3-iodanylphenyl)-2-(2-pyrrol-1-ylphenoxy)butanoate Openeye Name: ethyl 2-(3-iodophenyl)-2-(2-pyrrol-1-ylphenoxy)butanoate CAS Name: 2-(3-iodophenyl)-2-[2-(1-pyrrolyl)phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 2-(3-iodophenyl)-2-(2-pyrrol-1-ylphenoxy)butanoate Traditional Name: 2-(3-iodophenyl)-2-(2-pyrrol-1-ylphenoxy)butyric acid ethyl ester Formula: C22H22INO3 MolecularWeight: 475.31945

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)I)(C(=O)OCC)OC2=CC=CC=C2N3C=CC=C3

Isomeric SMILES

CCC(C1=CC(=CC=C1)I)(C(=O)OCC)OC2=CC=CC=C2N3C=CC=C3

InChI

InChI=1S/C22H22INO3/c1-3-22(21(25)26-4-2,17-10-9-11-18(23)16-17)27-20-13-6-5-12-19(20)24-14-7-8-15-24/h5-16H,3-4H2,1-2H3