(2S)-2-azanyl-1-(2,5-dimethylphenyl)butan-1-one

Systemtic Name: (2S)-2-azanyl-1-(2,5-dimethylphenyl)butan-1-one Openeye Name: (2S)-2-amino-1-(2,5-dimethylphenyl)butan-1-one CAS Name: (2S)-2-amino-1-(2,5-dimethylphenyl)-1-butanone IUPAC Name: (2S)-2-amino-1-(2,5-dimethylphenyl)butan-1-one Traditional Name: (2S)-2-amino-1-(2,5-dimethylphenyl)butan-1-one Formula: C12H17NO MolecularWeight: 191.26948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=C(C=CC(=C1)C)C)N

Isomeric SMILES

CC[C@@H](C(=O)C1=C(C=CC(=C1)C)C)N

InChI

InChI=1S/C12H17NO/c1-4-11(13)12(14)10-7-8(2)5-6-9(10)3/h5-7,11H,4,13H2,1-3H3/t11-/m0/s1