3-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1H-azepine-2-carboxylic acid

Systemtic Name: 3-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1H-azepine-2-carboxylic acid Openeye Name: 3-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1H-azepine-2-carboxylic acid CAS Name: 3-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1H-azepine-2-carboxylic acid IUPAC Name: 3-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1H-azepine-2-carboxylic acid Traditional Name: 3-[4-(3-fluorobenzyl)oxybenzyl]-1H-azepine-2-carboxylic acid Formula: C21H18FNO3 MolecularWeight: 351.370923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(NC=C1)C(=O)O)CC2=CC=C(C=C2)OCC3=CC(=CC=C3)F

Isomeric SMILES

C1=CC(=C(NC=C1)C(=O)O)CC2=CC=C(C=C2)OCC3=CC(=CC=C3)F

InChI

InChI=1S/C21H18FNO3/c22-18-6-3-4-16(13-18)14-26-19-9-7-15(8-10-19)12-17-5-1-2-11-23-20(17)21(24)25/h1-11,13,23H,12,14H2,(H,24,25)