(2S)-N-(4-bromanyl-3-methyl-phenyl)-2-(4-cyanophenoxy)propanamide

Systemtic Name: (2S)-N-(4-bromanyl-3-methyl-phenyl)-2-(4-cyanophenoxy)propanamide Openeye Name: (2S)-N-(4-bromo-3-methyl-phenyl)-2-(4-cyanophenoxy)propanamide CAS Name: (2S)-N-(4-bromo-3-methylphenyl)-2-(4-cyanophenoxy)propanamide IUPAC Name: (2S)-N-(4-bromo-3-methylphenyl)-2-(4-cyanophenoxy)propanamide Traditional Name: (2S)-N-(4-bromo-3-methyl-phenyl)-2-(4-cyanophenoxy)propionamide Formula: C17H15BrN2O2 MolecularWeight: 359.2172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(C)OC2=CC=C(C=C2)C#N)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)[C@H](C)OC2=CC=C(C=C2)C#N)Br

InChI

InChI=1S/C17H15BrN2O2/c1-11-9-14(5-8-16(11)18)20-17(21)12(2)22-15-6-3-13(10-19)4-7-15/h3-9,12H,1-2H3,(H,20,21)/t12-/m0/s1