tert-butyl N-[4-[3-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]phenyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[3-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]phenyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[3-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]phenyl]phenyl]carbamate CAS Name: N-[4-[3-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[3-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl]phenyl]carbamate Traditional Name: N-[4-[3-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]phenyl]phenyl]carbamic acid tert-butyl ester Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3/c1-17(2)15-22(23(29)27-14-13-26)20-8-6-7-19(16-20)18-9-11-21(12-10-18)28-24(30)31-25(3,4)5/h6-12,16-17,22H,14-15H2,1-5H3,(H,27,29)(H,28,30)