5-ethyl-8-[(2-iodanyl-6-phenylmethoxy-quinolin-3-yl)methyl]-5-oxidanyl-1,4-dihydrooxepino[3,4-c]pyridine-3,9-dione

Systemtic Name: 5-ethyl-8-[(2-iodanyl-6-phenylmethoxy-quinolin-3-yl)methyl]-5-oxidanyl-1,4-dihydrooxepino[3,4-c]pyridine-3,9-dione Openeye Name: 8-[(6-benzyloxy-2-iodo-3-quinolyl)methyl]-5-ethyl-5-hydroxy-1,4-dihydrooxepino[3,4-c]pyridine-3,9-dione CAS Name: 5-ethyl-5-hydroxy-8-[(2-iodo-6-phenylmethoxy-3-quinolinyl)methyl]-1,4-dihydrooxepino[3,4-c]pyridine-3,9-dione IUPAC Name: 5-ethyl-5-hydroxy-8-[(2-iodo-6-phenylmethoxyquinolin-3-yl)methyl]-1,4-dihydrooxepino[3,4-c]pyridine-3,9-dione Traditional Name: 8-[(6-benzoxy-2-iodo-3-quinolyl)methyl]-5-ethyl-5-hydroxy-1,4-dihydrooxepino[3,4-c]pyridine-3,9-quinone Formula: C28H25IN2O5 MolecularWeight: 596.41297

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=O)OCC2=C1C=CN(C2=O)CC3=C(N=C4C=CC(=CC4=C3)OCC5=CC=CC=C5)I)O

Isomeric SMILES

CCC1(CC(=O)OCC2=C1C=CN(C2=O)CC3=C(N=C4C=CC(=CC4=C3)OCC5=CC=CC=C5)I)O

InChI

InChI=1S/C28H25IN2O5/c1-2-28(34)14-25(32)36-17-22-23(28)10-11-31(27(22)33)15-20-12-19-13-21(8-9-24(19)30-26(20)29)35-16-18-6-4-3-5-7-18/h3-13,34H,2,14-17H2,1H3