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methyl 5-[2-[10-methoxy-8-[2-[3-methoxycarbonyl-4-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethynyl]phenyl]ethynyl]anthracen-1-yl]ethynyl]-2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethynyl]benzoate

methyl 5-[2-[10-methoxy-8-[2-[3-methoxycarbonyl-4-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethynyl]phenyl]ethynyl]anthracen-1-yl]ethynyl]-2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethynyl]benzoate

Systemtic Name:methyl 5-[2-[10-methoxy-8-[2-[3-methoxycarbonyl-4-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethynyl]phenyl]ethynyl]anthracen-1-yl]ethynyl]-2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethynyl]benzoate
Openeye Name:methyl 2-[2-[4-(tert-butoxycarbonylamino)phenyl]ethynyl]-5-[2-[8-[2-[4-[2-[4-(tert-butoxycarbonylamino)phenyl]ethynyl]-3-methoxycarbonyl-phenyl]ethynyl]-10-methoxy-1-anthryl]ethynyl]benzoate
CAS Name:5-[2-[10-methoxy-8-[2-[3-methoxycarbonyl-4-[2-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]ethynyl]phenyl]ethynyl]-1-anthracenyl]ethynyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester
IUPAC Name:methyl 5-[2-[10-methoxy-8-[2-[3-methoxycarbonyl-4-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethynyl]phenyl]ethynyl]anthracen-1-yl]ethynyl]-2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethynyl]benzoate
Traditional Name:2-[2-[4-(tert-butoxycarbonylamino)phenyl]ethynyl]-5-[2-[8-[2-[4-[2-[4-(tert-butoxycarbonylamino)phenyl]ethynyl]-3-carbomethoxy-phenyl]ethynyl]-10-methoxy-1-anthryl]ethynyl]benzoic acid methyl ester
Formula: C61H50N2O9
MolecularWeight: 955.0577
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C#CC2=C(C=C(C=C2)C#CC3=C4C=C5C(=C(C4=CC=C3)OC)C=CC=C5C#CC6=CC(=C(C=C6)C#CC7=CC=C(C=C7)NC(=O)OC(C)(C)C)C(=O)OC)C(=O)OC


Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C#CC2=C(C=C(C=C2)C#CC3=C4C=C5C(=C(C4=CC=C3)OC)C=CC=C5C#CC6=CC(=C(C=C6)C#CC7=CC=C(C=C7)NC(=O)OC(C)(C)C)C(=O)OC)C(=O)OC


InChI

InChI=1S/C61H50N2O9/c1-60(2,3)71-58(66)62-47-32-22-39(23-33-47)16-26-45-30-20-41(36-53(45)56(64)69-8)18-28-43-12-10-14-49-51(43)38-52-44(13-11-15-50(52)55(49)68-7)29-19-42-21-31-46(54(37-42)57(65)70-9)27-17-40-24-34-48(35-25-40)63-59(67)72-61(4,5)6/h10-15,20-25,30-38H,1-9H3,(H,62,66)(H,63,67)


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