[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl] 3-iodanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl] 3-iodanylbenzoate Openeye Name: [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-oxo-2-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethyl] ester IUPAC Name: [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-keto-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] ester Formula: C18H17IN2O4 MolecularWeight: 452.24305

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)COC(=O)C3=CC(=CC=C3)I

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)COC(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C18H17IN2O4/c19-14-5-3-4-12(8-14)18(24)25-11-16(22)13-9-15(20-10-13)17(23)21-6-1-2-7-21/h3-5,8-10,20H,1-2,6-7,11H2