N-[2-[bis[2-[(1-methyl-2-oxidanylidene-3-phenylmethoxy-pyridin-4-yl)carbonylamino]ethyl]amino]ethyl]-1-methyl-2-oxidanylidene-3-phenylmethoxy-pyridine-4-carboxamide

Systemtic Name: N-[2-[bis[2-[(1-methyl-2-oxidanylidene-3-phenylmethoxy-pyridin-4-yl)carbonylamino]ethyl]amino]ethyl]-1-methyl-2-oxidanylidene-3-phenylmethoxy-pyridine-4-carboxamide Openeye Name: 3-benzyloxy-N-[2-[bis[2-[(3-benzyloxy-1-methyl-2-oxo-pyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-pyridine-4-carboxamide CAS Name: N-[2-[bis[2-[[(1-methyl-2-oxo-3-phenylmethoxy-4-pyridinyl)-oxomethyl]amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxy-4-pyridinecarboxamide IUPAC Name: N-[2-[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide Traditional Name: 3-benzoxy-N-[2-[bis[2-[(3-benzoxy-2-keto-1-methyl-isonicotinoyl)amino]ethyl]amino]ethyl]-2-keto-1-methyl-isonicotinamide Formula: C48H51N7O9 MolecularWeight: 869.96004

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C(C1=O)OCC2=CC=CC=C2)C(=O)NCCN(CCNC(=O)C3=C(C(=O)N(C=C3)C)OCC4=CC=CC=C4)CCNC(=O)C5=C(C(=O)N(C=C5)C)OCC6=CC=CC=C6

Isomeric SMILES

CN1C=CC(=C(C1=O)OCC2=CC=CC=C2)C(=O)NCCN(CCNC(=O)C3=C(C(=O)N(C=C3)C)OCC4=CC=CC=C4)CCNC(=O)C5=C(C(=O)N(C=C5)C)OCC6=CC=CC=C6

InChI

InChI=1S/C48H51N7O9/c1-52-25-19-37(40(46(52)59)62-31-34-13-7-4-8-14-34)43(56)49-22-28-55(29-23-50-44(57)38-20-26-53(2)47(60)41(38)63-32-35-15-9-5-10-16-35)30-24-51-45(58)39-21-27-54(3)48(61)42(39)64-33-36-17-11-6-12-18-36/h4-21,25-27H,22-24,28-33H2,1-3H3,(H,49,56)(H,50,57)(H,51,58)