propyl 4-[4-(acetyloxymethyl)phenyl]-1-iodanyl-2,6-dimethyl-5-pyridin-3-yl-4H-pyridine-3-carboxylate

Systemtic Name: propyl 4-[4-(acetyloxymethyl)phenyl]-1-iodanyl-2,6-dimethyl-5-pyridin-3-yl-4H-pyridine-3-carboxylate Openeye Name: propyl 4-[4-(acetoxymethyl)phenyl]-1-iodo-2,6-dimethyl-5-(3-pyridyl)-4H-pyridine-3-carboxylate CAS Name: 4-[4-(acetyloxymethyl)phenyl]-1-iodo-2,6-dimethyl-5-(3-pyridinyl)-4H-pyridine-3-carboxylic acid propyl ester IUPAC Name: propyl 4-[4-(acetyloxymethyl)phenyl]-1-iodo-2,6-dimethyl-5-pyridin-3-yl-4H-pyridine-3-carboxylate Traditional Name: 4-[4-(acetoxymethyl)phenyl]-1-iodo-2,6-dimethyl-5-(3-pyridyl)-4H-pyridine-3-carboxylic acid propyl ester Formula: C25H27IN2O4 MolecularWeight: 546.39735

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(N(C(=C(C1C2=CC=C(C=C2)COC(=O)C)C3=CN=CC=C3)C)I)C

Isomeric SMILES

CCCOC(=O)C1=C(N(C(=C(C1C2=CC=C(C=C2)COC(=O)C)C3=CN=CC=C3)C)I)C

InChI

InChI=1S/C25H27IN2O4/c1-5-13-31-25(30)23-17(3)28(26)16(2)22(21-7-6-12-27-14-21)24(23)20-10-8-19(9-11-20)15-32-18(4)29/h6-12,14,24H,5,13,15H2,1-4H3