butyl N-[[3-[[[3-[[3,5-bis[[3-[[[3-[(butoxycarbonylamino)methyl]phenyl]methyliminomethylideneamino]methyl]phenyl]methyl]-2,4,6-tris(oxidanylidene)-1,3,5-triazinan-1-yl]methyl]phenyl]methyliminomethylideneamino]methyl]phenyl]methyl]carbamate

Systemtic Name: butyl N-[[3-[[[3-[[3,5-bis[[3-[[[3-[(butoxycarbonylamino)methyl]phenyl]methyliminomethylideneamino]methyl]phenyl]methyl]-2,4,6-tris(oxidanylidene)-1,3,5-triazinan-1-yl]methyl]phenyl]methyliminomethylideneamino]methyl]phenyl]methyl]carbamate Openeye Name: butyl N-[[3-[[[3-[[3,5-bis[[3-[[[3-[(butoxycarbonylamino)methyl]phenyl]methyliminomethyleneamino]methyl]phenyl]methyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl]phenyl]methyliminomethyleneamino]methyl]phenyl]methyl]carbamate CAS Name: N-[[3-[[[3-[[3,5-bis[[3-[[[3-[[[butoxy(oxo)methyl]amino]methyl]phenyl]methyliminomethylideneamino]methyl]phenyl]methyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl]phenyl]methyliminomethylideneamino]methyl]phenyl]methyl]carbamic acid butyl ester IUPAC Name: butyl N-[[3-[[[3-[[3,5-bis[[3-[[[3-[(butoxycarbonylamino)methyl]phenyl]methyliminomethylideneamino]methyl]phenyl]methyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl]phenyl]methyliminomethylideneamino]methyl]phenyl]methyl]carbamate Traditional Name: N-[3-[[[3-[[3,5-bis[3-[[[3-[(butoxycarbonylamino)methyl]benzyl]iminomethyleneamino]methyl]benzyl]-2,4,6-triketo-1,3,5-triazinan-1-yl]methyl]benzyl]iminomethyleneamino]methyl]benzyl]carbamic acid butyl ester Formula: C69H78N12O9 MolecularWeight: 1219.43262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NCC1=CC=CC(=C1)CN=C=NCC2=CC(=CC=C2)CN3C(=O)N(C(=O)N(C3=O)CC4=CC=CC(=C4)CN=C=NCC5=CC(=CC=C5)CNC(=O)OCCCC)CC6=CC=CC(=C6)CN=C=NCC7=CC(=CC=C7)CNC(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)NCC1=CC=CC(=C1)CN=C=NCC2=CC(=CC=C2)CN3C(=O)N(C(=O)N(C3=O)CC4=CC=CC(=C4)CN=C=NCC5=CC(=CC=C5)CNC(=O)OCCCC)CC6=CC=CC(=C6)CN=C=NCC7=CC(=CC=C7)CNC(=O)OCCCC

InChI

InChI=1S/C69H78N12O9/c1-4-7-28-88-64(82)76-43-58-22-10-16-52(31-58)37-70-49-73-40-55-19-13-25-61(34-55)46-79-67(85)80(47-62-26-14-20-56(35-62)41-74-50-71-38-53-17-11-23-59(32-53)44-77-65(83)89-29-8-5-2)69(87)81(68(79)86)48-63-27-15-21-57(36-63)42-75-51-72-39-54-18-12-24-60(33-54)45-78-66(84)90-30-9-6-3/h10-27,31-36H,4-9,28-30,37-48H2,1-3H3,(H,76,82)(H,77,83)(H,78,84)