tert-butyl 4-[4-[3-[[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]oxymethyl]phenyl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[3-[[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]oxymethyl]phenyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[3-[[1-(cyanomethylcarbamoyl)-3-methyl-butoxy]methyl]phenyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[3-[[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]oxymethyl]phenyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[3-[[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]oxymethyl]phenyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[3-[[1-(cyanomethylcarbamoyl)-3-methyl-butoxy]methyl]phenyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C30H40N4O4 MolecularWeight: 520.663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)OCC1=CC=CC(=C1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)OCC1=CC=CC(=C1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H40N4O4/c1-22(2)19-27(28(35)32-14-13-31)37-21-23-7-6-8-25(20-23)24-9-11-26(12-10-24)33-15-17-34(18-16-33)29(36)38-30(3,4)5/h6-12,20,22,27H,14-19,21H2,1-5H3,(H,32,35)