tert-butyl N-[3,5-bis[[3-(2-phenylethynyl)phenyl]carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3,5-bis[[3-(2-phenylethynyl)phenyl]carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3,5-bis[[3-(2-phenylethynyl)phenyl]carbamoyl]phenyl]carbamate CAS Name: N-[3,5-bis[oxo-[3-(2-phenylethynyl)anilino]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3,5-bis[[3-(2-phenylethynyl)phenyl]carbamoyl]phenyl]carbamate Traditional Name: N-[3,5-bis[[3-(2-phenylethynyl)phenyl]carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C41H33N3O4 MolecularWeight: 631.71842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C#CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C#CC5=CC=CC=C5

InChI

InChI=1S/C41H33N3O4/c1-41(2,3)48-40(47)44-37-27-33(38(45)42-35-18-10-16-31(24-35)22-20-29-12-6-4-7-13-29)26-34(28-37)39(46)43-36-19-11-17-32(25-36)23-21-30-14-8-5-9-15-30/h4-19,24-28H,1-3H3,(H,42,45)(H,43,46)(H,44,47)