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

Systemtic Name: tert-butyl 4-[4-[3-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]phenyl]phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[3-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]phenyl]phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-[3-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[3-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-[3-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]phenyl]phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H39N3O4 MolecularWeight: 505.64836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)OC3CCN(CC3)C(=O)OC(C)(C)C)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)OC3CCN(CC3)C(=O)OC(C)(C)C)C(=O)NCC#N

InChI

InChI=1S/C30H39N3O4/c1-21(2)19-27(28(34)32-16-15-31)24-8-6-7-23(20-24)22-9-11-25(12-10-22)36-26-13-17-33(18-14-26)29(35)37-30(3,4)5/h6-12,20-21,26-27H,13-14,16-19H2,1-5H3,(H,32,34)