3-[(4-fluoranyl-3-methoxy-phenyl)-[(3-fluorophenyl)methyl]amino]benzoic acid

Systemtic Name: 3-[(4-fluoranyl-3-methoxy-phenyl)-[(3-fluorophenyl)methyl]amino]benzoic acid Openeye Name: 3-[4-fluoro-N-[(3-fluorophenyl)methyl]-3-methoxy-anilino]benzoic acid CAS Name: 3-[4-fluoro-N-[(3-fluorophenyl)methyl]-3-methoxyanilino]benzoic acid IUPAC Name: 3-[4-fluoro-N-[(3-fluorophenyl)methyl]-3-methoxyanilino]benzoic acid Traditional Name: 3-(4-fluoro-N-(3-fluorobenzyl)-3-methoxy-anilino)benzoic acid Formula: C21H17F2NO3 MolecularWeight: 369.361386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N(CC2=CC(=CC=C2)F)C3=CC=CC(=C3)C(=O)O)F

Isomeric SMILES

COC1=C(C=CC(=C1)N(CC2=CC(=CC=C2)F)C3=CC=CC(=C3)C(=O)O)F

InChI

InChI=1S/C21H17F2NO3/c1-27-20-12-18(8-9-19(20)23)24(13-14-4-2-6-16(22)10-14)17-7-3-5-15(11-17)21(25)26/h2-12H,13H2,1H3,(H,25,26)