phenacyl 6-iodanyl-2-pyridin-2-yl-quinoline-4-carboxylate

Systemtic Name: phenacyl 6-iodanyl-2-pyridin-2-yl-quinoline-4-carboxylate Openeye Name: phenacyl 6-iodo-2-(2-pyridyl)quinoline-4-carboxylate CAS Name: 6-iodo-2-(2-pyridinyl)-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 6-iodo-2-pyridin-2-ylquinoline-4-carboxylate Traditional Name: 6-iodo-2-(2-pyridyl)cinchoninic acid phenacyl ester Formula: C23H15IN2O3 MolecularWeight: 494.28127

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)I)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)I)C4=CC=CC=N4

InChI

InChI=1S/C23H15IN2O3/c24-16-9-10-19-17(12-16)18(13-21(26-19)20-8-4-5-11-25-20)23(28)29-14-22(27)15-6-2-1-3-7-15/h1-13H,14H2