(7R)-7-(4-fluoranyl-2-methyl-phenyl)-4-methyl-1,4-diazepane-1-carboxylic acid

Systemtic Name: (7R)-7-(4-fluoranyl-2-methyl-phenyl)-4-methyl-1,4-diazepane-1-carboxylic acid Openeye Name: (7R)-7-(4-fluoro-2-methyl-phenyl)-4-methyl-1,4-diazepane-1-carboxylic acid CAS Name: (7R)-7-(4-fluoro-2-methylphenyl)-4-methyl-1,4-diazepane-1-carboxylic acid IUPAC Name: (7R)-7-(4-fluoro-2-methylphenyl)-4-methyl-1,4-diazepane-1-carboxylic acid Traditional Name: (7R)-7-(4-fluoro-2-methyl-phenyl)-4-methyl-1,4-diazepane-1-carboxylic acid Formula: C14H19FN2O2 MolecularWeight: 266.311263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2CCN(CCN2C(=O)O)C

Isomeric SMILES

CC1=C(C=CC(=C1)F)[C@H]2CCN(CCN2C(=O)O)C

InChI

InChI=1S/C14H19FN2O2/c1-10-9-11(15)3-4-12(10)13-5-6-16(2)7-8-17(13)14(18)19/h3-4,9,13H,5-8H2,1-2H3,(H,18,19)/t13-/m1/s1