methyl (2S)-2-benzamido-3-[4-[12-(1,10-phenanthrolin-5-yl)dodec-1-ynyl]phenyl]propanoate

Systemtic Name: methyl (2S)-2-benzamido-3-[4-[12-(1,10-phenanthrolin-5-yl)dodec-1-ynyl]phenyl]propanoate Openeye Name: methyl (2S)-2-benzamido-3-[4-[12-(1,10-phenanthrolin-5-yl)dodec-1-ynyl]phenyl]propanoate CAS Name: (2S)-2-benzamido-3-[4-[12-(1,10-phenanthrolin-5-yl)dodec-1-ynyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-benzamido-3-[4-[12-(1,10-phenanthrolin-5-yl)dodec-1-ynyl]phenyl]propanoate Traditional Name: (2S)-2-benzamido-3-[4-[12-(1,10-phenanthrolin-5-yl)dodec-1-ynyl]phenyl]propionic acid methyl ester Formula: C41H43N3O3 MolecularWeight: 625.79842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)C#CCCCCCCCCCCC2=C3C=CC=NC3=C4C(=C2)C=CC=N4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)C#CCCCCCCCCCCC2=C3C=CC=NC3=C4C(=C2)C=CC=N4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C41H43N3O3/c1-47-41(46)37(44-40(45)33-18-13-10-14-19-33)29-32-25-23-31(24-26-32)17-11-8-6-4-2-3-5-7-9-12-20-34-30-35-21-15-27-42-38(35)39-36(34)22-16-28-43-39/h10,13-16,18-19,21-28,30,37H,2-9,12,20,29H2,1H3,(H,44,45)/t37-/m0/s1