(2S)-2-[1-(4-bromophenyl)-2-methyl-propoxy]-N-(cyanomethyl)-4-methyl-pentanamide

Systemtic Name: (2S)-2-[1-(4-bromophenyl)-2-methyl-propoxy]-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: (2S)-2-[1-(4-bromophenyl)-2-methyl-propoxy]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: (2S)-2-[1-(4-bromophenyl)-2-methylpropoxy]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: (2S)-2-[1-(4-bromophenyl)-2-methylpropoxy]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: (2S)-2-[1-(4-bromophenyl)-2-methyl-propoxy]-N-(cyanomethyl)-4-methyl-valeramide Formula: C18H25BrN2O2 MolecularWeight: 381.3073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)OC(C1=CC=C(C=C1)Br)C(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)OC(C1=CC=C(C=C1)Br)C(C)C

InChI

InChI=1S/C18H25BrN2O2/c1-12(2)11-16(18(22)21-10-9-20)23-17(13(3)4)14-5-7-15(19)8-6-14/h5-8,12-13,16-17H,10-11H2,1-4H3,(H,21,22)/t16-,17?/m0/s1