(2S)-2-(4-fluoranyl-2-methyl-phenyl)-1,4-diazepane-1-carboxylic acid

Systemtic Name: (2S)-2-(4-fluoranyl-2-methyl-phenyl)-1,4-diazepane-1-carboxylic acid Openeye Name: (2S)-2-(4-fluoro-2-methyl-phenyl)-1,4-diazepane-1-carboxylic acid CAS Name: (2S)-2-(4-fluoro-2-methylphenyl)-1,4-diazepane-1-carboxylic acid IUPAC Name: (2S)-2-(4-fluoro-2-methylphenyl)-1,4-diazepane-1-carboxylic acid Traditional Name: (2S)-2-(4-fluoro-2-methyl-phenyl)-1,4-diazepane-1-carboxylic acid Formula: C13H17FN2O2 MolecularWeight: 252.284683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2CNCCCN2C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)F)[C@H]2CNCCCN2C(=O)O

InChI

InChI=1S/C13H17FN2O2/c1-9-7-10(14)3-4-11(9)12-8-15-5-2-6-16(12)13(17)18/h3-4,7,12,15H,2,5-6,8H2,1H3,(H,17,18)/t12-/m1/s1