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

Systemtic Name: 3-[4-[3-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]phenyl]phenoxy]pyrrolidine-1-carboxylic acid Openeye Name: 3-[4-[3-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]phenyl]phenoxy]pyrrolidine-1-carboxylic acid CAS Name: 3-[4-[3-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl]phenoxy]-1-pyrrolidinecarboxylic acid IUPAC Name: 3-[4-[3-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl]phenoxy]pyrrolidine-1-carboxylic acid Traditional Name: 3-[4-[3-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]phenyl]phenoxy]pyrrolidine-1-carboxylic acid Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)OC3CCN(C3)C(=O)O)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)OC3CCN(C3)C(=O)O)C(=O)NCC#N

InChI

InChI=1S/C25H29N3O4/c1-17(2)14-23(24(29)27-12-11-26)20-5-3-4-19(15-20)18-6-8-21(9-7-18)32-22-10-13-28(16-22)25(30)31/h3-9,15,17,22-23H,10,12-14,16H2,1-2H3,(H,27,29)(H,30,31)