tert-butyl 3-[1-[(7-fluoranyl-2-iodanyl-6-phenylmethoxy-quinolin-3-yl)methyl]-2-oxidanylidene-pyridin-4-yl]-3-oxidanyl-pentanoate

Systemtic Name: tert-butyl 3-[1-[(7-fluoranyl-2-iodanyl-6-phenylmethoxy-quinolin-3-yl)methyl]-2-oxidanylidene-pyridin-4-yl]-3-oxidanyl-pentanoate Openeye Name: tert-butyl 3-[1-[(6-benzyloxy-7-fluoro-2-iodo-3-quinolyl)methyl]-2-oxo-4-pyridyl]-3-hydroxy-pentanoate CAS Name: 3-[1-[(7-fluoro-2-iodo-6-phenylmethoxy-3-quinolinyl)methyl]-2-oxo-4-pyridinyl]-3-hydroxypentanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-[(7-fluoro-2-iodo-6-phenylmethoxyquinolin-3-yl)methyl]-2-oxopyridin-4-yl]-3-hydroxypentanoate Traditional Name: 3-[1-[(6-benzoxy-7-fluoro-2-iodo-3-quinolyl)methyl]-2-keto-4-pyridyl]-3-hydroxy-valeric acid tert-butyl ester Formula: C31H32FIN2O5 MolecularWeight: 658.499053

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)OC(C)(C)C)(C1=CC(=O)N(C=C1)CC2=C(N=C3C=C(C(=CC3=C2)OCC4=CC=CC=C4)F)I)O

Isomeric SMILES

CCC(CC(=O)OC(C)(C)C)(C1=CC(=O)N(C=C1)CC2=C(N=C3C=C(C(=CC3=C2)OCC4=CC=CC=C4)F)I)O

InChI

InChI=1S/C31H32FIN2O5/c1-5-31(38,17-28(37)40-30(2,3)4)23-11-12-35(27(36)15-23)18-22-13-21-14-26(24(32)16-25(21)34-29(22)33)39-19-20-9-7-6-8-10-20/h6-16,38H,5,17-19H2,1-4H3