4-[[[5-(4-fluorophenyl)furan-2-yl]methylamino]methyl]benzoic acid

Systemtic Name: 4-[[[5-(4-fluorophenyl)furan-2-yl]methylamino]methyl]benzoic acid Openeye Name: 4-[[[5-(4-fluorophenyl)-2-furyl]methylamino]methyl]benzoic acid CAS Name: 4-[[[5-(4-fluorophenyl)-2-furanyl]methylamino]methyl]benzoic acid IUPAC Name: 4-[[[5-(4-fluorophenyl)furan-2-yl]methylamino]methyl]benzoic acid Traditional Name: 4-[[[5-(4-fluorophenyl)-2-furyl]methylamino]methyl]benzoic acid Formula: C19H16FNO3 MolecularWeight: 325.333643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCC2=CC=C(O2)C3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNCC2=CC=C(O2)C3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C19H16FNO3/c20-16-7-5-14(6-8-16)18-10-9-17(24-18)12-21-11-13-1-3-15(4-2-13)19(22)23/h1-10,21H,11-12H2,(H,22,23)