(2S)-2-[(R)-(3-bromophenyl)-phenyl-methoxy]-N-(cyanomethyl)-4-methyl-pentanamide

Systemtic Name: (2S)-2-[(R)-(3-bromophenyl)-phenyl-methoxy]-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: (2S)-2-[(R)-(3-bromophenyl)-phenyl-methoxy]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: (2S)-2-[(R)-(3-bromophenyl)-phenylmethoxy]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: (2S)-2-[(R)-(3-bromophenyl)-phenylmethoxy]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: (2S)-2-[(R)-(3-bromophenyl)-phenyl-methoxy]-N-(cyanomethyl)-4-methyl-valeramide Formula: C21H23BrN2O2 MolecularWeight: 415.32352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)O[C@H](C1=CC=CC=C1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C21H23BrN2O2/c1-15(2)13-19(21(25)24-12-11-23)26-20(16-7-4-3-5-8-16)17-9-6-10-18(22)14-17/h3-10,14-15,19-20H,12-13H2,1-2H3,(H,24,25)/t19-,20+/m0/s1