(2S)-2-azanyl-N-(3-bromanyl-4-methyl-phenyl)-3-methyl-butanamide

Systemtic Name: (2S)-2-azanyl-N-(3-bromanyl-4-methyl-phenyl)-3-methyl-butanamide Openeye Name: (2S)-2-amino-N-(3-bromo-4-methyl-phenyl)-3-methyl-butanamide CAS Name: (2S)-2-amino-N-(3-bromo-4-methylphenyl)-3-methylbutanamide IUPAC Name: (2S)-2-amino-N-(3-bromo-4-methylphenyl)-3-methylbutanamide Traditional Name: (2S)-2-amino-N-(3-bromo-4-methyl-phenyl)-3-methyl-butyramide Formula: C12H17BrN2O MolecularWeight: 285.18018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)N)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C(C)C)N)Br

InChI

InChI=1S/C12H17BrN2O/c1-7(2)11(14)12(16)15-9-5-4-8(3)10(13)6-9/h4-7,11H,14H2,1-3H3,(H,15,16)/t11-/m0/s1