[3-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]phenyl] 2-(3-hydroxyphenyl)-4-methyl-pentanoate

Systemtic Name: [3-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]phenyl] 2-(3-hydroxyphenyl)-4-methyl-pentanoate Openeye Name: [3-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]phenyl] 2-(3-hydroxyphenyl)-4-methyl-pentanoate CAS Name: 2-(3-hydroxyphenyl)-4-methylpentanoic acid [3-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl] ester IUPAC Name: [3-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl] 2-(3-hydroxyphenyl)-4-methylpentanoate Traditional Name: 2-(3-hydroxyphenyl)-4-methyl-valeric acid [3-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]phenyl] ester Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC(=CC=C1)O)C(=O)OC2=CC=CC(=C2)C(CC(C)C)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC(=CC=C1)O)C(=O)OC2=CC=CC(=C2)C(CC(C)C)C(=O)NCC#N

InChI

InChI=1S/C26H32N2O4/c1-17(2)13-23(25(30)28-12-11-27)20-8-6-10-22(16-20)32-26(31)24(14-18(3)4)19-7-5-9-21(29)15-19/h5-10,15-18,23-24,29H,12-14H2,1-4H3,(H,28,30)