tert-butyl 4-[4-[4-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]oxyphenyl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[4-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]oxyphenyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[4-[1-(cyanomethylcarbamoyl)-3-methyl-butoxy]phenyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[4-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]oxyphenyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[4-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]oxyphenyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[4-[1-(cyanomethylcarbamoyl)-3-methyl-butoxy]phenyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C29H38N4O4 MolecularWeight: 506.63642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)OC1=CC=C(C=C1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)OC1=CC=C(C=C1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H38N4O4/c1-21(2)20-26(27(34)31-15-14-30)36-25-12-8-23(9-13-25)22-6-10-24(11-7-22)32-16-18-33(19-17-32)28(35)37-29(3,4)5/h6-13,21,26H,15-20H2,1-5H3,(H,31,34)