N-[3-[6-[8-[6-[(5-iodanyl-2-methoxy-phenyl)methylamino]hexylamino]octylamino]hexylamino]propyl]-7-methoxy-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-[3-[6-[8-[6-[(5-iodanyl-2-methoxy-phenyl)methylamino]hexylamino]octylamino]hexylamino]propyl]-7-methoxy-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-[3-[6-[8-[6-[(5-iodo-2-methoxy-phenyl)methylamino]hexylamino]octylamino]hexylamino]propyl]-7-methoxy-2-oxo-chromene-3-carboxamide CAS Name: N-[3-[6-[8-[6-[(5-iodo-2-methoxyphenyl)methylamino]hexylamino]octylamino]hexylamino]propyl]-7-methoxy-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-[3-[6-[8-[6-[(5-iodo-2-methoxyphenyl)methylamino]hexylamino]octylamino]hexylamino]propyl]-7-methoxy-2-oxochromene-3-carboxamide Traditional Name: N-[3-[6-[8-[6-[(5-iodo-2-methoxy-benzyl)amino]hexylamino]octylamino]hexylamino]propyl]-2-keto-7-methoxy-chromene-3-carboxamide Formula: C42H66IN5O5 MolecularWeight: 847.90841

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NCCCNCCCCCCNCCCCCCCCNCCCCCCNCC3=C(C=CC(=C3)I)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NCCCNCCCCCCNCCCCCCCCNCCCCCCNCC3=C(C=CC(=C3)I)OC

InChI

InChI=1S/C42H66IN5O5/c1-51-37-20-18-34-31-38(42(50)53-40(34)32-37)41(49)48-29-17-28-46-26-15-8-7-13-24-44-22-11-5-3-4-6-12-23-45-25-14-9-10-16-27-47-33-35-30-36(43)19-21-39(35)52-2/h18-21,30-32,44-47H,3-17,22-29,33H2,1-2H3,(H,48,49)