N1,N3-bis[5-[(5-ethynyl-2-octoxy-phenyl)carbonylamino]-2,4-dimethoxy-phenyl]-2-methoxy-benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis[5-[(5-ethynyl-2-octoxy-phenyl)carbonylamino]-2,4-dimethoxy-phenyl]-2-methoxy-benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis[5-[(5-ethynyl-2-octoxy-benzoyl)amino]-2,4-dimethoxy-phenyl]-2-methoxy-benzene-1,3-dicarboxamide CAS Name: N1,N3-bis[5-[[(5-ethynyl-2-octoxyphenyl)-oxomethyl]amino]-2,4-dimethoxyphenyl]-2-methoxybenzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis[5-[(5-ethynyl-2-octoxybenzoyl)amino]-2,4-dimethoxyphenyl]-2-methoxybenzene-1,3-dicarboxamide Traditional Name: N,N'-bis[5-[(5-ethynyl-2-octoxy-benzoyl)amino]-2,4-dimethoxy-phenyl]-2-methoxy-isophthalamide Formula: C59H68N4O11 MolecularWeight: 1009.19142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C#C)C(=O)NC2=C(C=C(C(=C2)NC(=O)C3=C(C(=CC=C3)C(=O)NC4=CC(=C(C=C4OC)OC)NC(=O)C5=C(C=CC(=C5)C#C)OCCCCCCCC)OC)OC)OC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C#C)C(=O)NC2=C(C=C(C(=C2)NC(=O)C3=C(C(=CC=C3)C(=O)NC4=CC(=C(C=C4OC)OC)NC(=O)C5=C(C=CC(=C5)C#C)OCCCCCCCC)OC)OC)OC

InChI

InChI=1S/C59H68N4O11/c1-10-14-16-18-20-22-31-73-49-29-27-39(12-3)33-43(49)58(66)62-47-35-45(51(68-5)37-53(47)70-7)60-56(64)41-25-24-26-42(55(41)72-9)57(65)61-46-36-48(54(71-8)38-52(46)69-6)63-59(67)44-34-40(13-4)28-30-50(44)74-32-23-21-19-17-15-11-2/h3-4,24-30,33-38H,10-11,14-23,31-32H2,1-2,5-9H3,(H,60,64)(H,61,65)(H,62,66)(H,63,67)