tert-butyl N-(4-tert-butylphenyl)-N-[[4-(cyanomethylcarbamoyl)phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-(4-tert-butylphenyl)-N-[[4-(cyanomethylcarbamoyl)phenyl]methyl]carbamate Openeye Name: tert-butyl N-(4-tert-butylphenyl)-N-[[4-(cyanomethylcarbamoyl)phenyl]methyl]carbamate CAS Name: N-(4-tert-butylphenyl)-N-[[4-[(cyanomethylamino)-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(4-tert-butylphenyl)-N-[[4-(cyanomethylcarbamoyl)phenyl]methyl]carbamate Traditional Name: N-(4-tert-butylphenyl)-N-[4-(cyanomethylcarbamoyl)benzyl]carbamic acid tert-butyl ester Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NCC#N)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NCC#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H31N3O3/c1-24(2,3)20-11-13-21(14-12-20)28(23(30)31-25(4,5)6)17-18-7-9-19(10-8-18)22(29)27-16-15-26/h7-14H,16-17H2,1-6H3,(H,27,29)