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

Systemtic Name: methyl 2-[3-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]phenyl]benzoate Openeye Name: methyl 2-[3-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]phenyl]benzoate CAS Name: 2-[3-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl]benzoate Traditional Name: 2-[3-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]phenyl]benzoic acid methyl ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC=CC=C2C(=O)OC)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC=CC=C2C(=O)OC)C(=O)NCC#N

InChI

InChI=1S/C22H24N2O3/c1-15(2)13-20(21(25)24-12-11-23)17-8-6-7-16(14-17)18-9-4-5-10-19(18)22(26)27-3/h4-10,14-15,20H,12-13H2,1-3H3,(H,24,25)