4-[4-[3-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]phenyl]phenoxy]piperidine-1-carboxylic acid

Systemtic Name: 4-[4-[3-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]phenyl]phenoxy]piperidine-1-carboxylic acid Openeye Name: 4-[4-[3-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]phenyl]phenoxy]piperidine-1-carboxylic acid CAS Name: 4-[4-[3-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl]phenoxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[4-[3-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl]phenoxy]piperidine-1-carboxylic acid Traditional Name: 4-[4-[3-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]phenyl]phenoxy]piperidine-1-carboxylic acid Formula: C26H31N3O4 MolecularWeight: 449.54204

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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)O)C(=O)NCC#N

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O4/c1-18(2)16-24(25(30)28-13-12-27)21-5-3-4-20(17-21)19-6-8-22(9-7-19)33-23-10-14-29(15-11-23)26(31)32/h3-9,17-18,23-24H,10-11,13-16H2,1-2H3,(H,28,30)(H,31,32)