tert-butyl N-methyl-N-[3-methyl-5-phenyl-4-(2-phenylethynyl)phenyl]carbamate

Systemtic Name: tert-butyl N-methyl-N-[3-methyl-5-phenyl-4-(2-phenylethynyl)phenyl]carbamate Openeye Name: tert-butyl N-methyl-N-[3-methyl-5-phenyl-4-(2-phenylethynyl)phenyl]carbamate CAS Name: N-methyl-N-[3-methyl-5-phenyl-4-(2-phenylethynyl)phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-methyl-N-[3-methyl-5-phenyl-4-(2-phenylethynyl)phenyl]carbamate Traditional Name: N-methyl-N-[3-methyl-5-phenyl-4-(2-phenylethynyl)phenyl]carbamic acid tert-butyl ester Formula: C27H27NO2 MolecularWeight: 397.50878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)N(C)C(=O)OC(C)(C)C)C2=CC=CC=C2)C#CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC(=C1)N(C)C(=O)OC(C)(C)C)C2=CC=CC=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C27H27NO2/c1-20-18-23(28(5)26(29)30-27(2,3)4)19-25(22-14-10-7-11-15-22)24(20)17-16-21-12-8-6-9-13-21/h6-15,18-19H,1-5H3