4-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxylic acid

Systemtic Name: 4-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxylic acid Openeye Name: 4-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxylic acid CAS Name: 4-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxylic acid IUPAC Name: 4-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxylic acid Traditional Name: 4-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxylic acid Formula: C13H15F3N2O2 MolecularWeight: 288.26561

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C13H15F3N2O2/c14-13(15,16)10-3-1-4-11(9-10)17-5-2-6-18(8-7-17)12(19)20/h1,3-4,9H,2,5-8H2,(H,19,20)