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

Systemtic Name: 4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1-carboxylic acid Openeye Name: 4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1-carboxylic acid CAS Name: 4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1-carboxylic acid IUPAC Name: 4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1-carboxylic acid Traditional Name: 4-[3-(trifluoromethyl)benzyl]-1,4-diazepane-1-carboxylic acid Formula: C14H17F3N2O2 MolecularWeight: 302.29219

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)O)CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)O)CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C14H17F3N2O2/c15-14(16,17)12-4-1-3-11(9-12)10-18-5-2-6-19(8-7-18)13(20)21/h1,3-4,9H,2,5-8,10H2,(H,20,21)