3-[(3,4-dimethoxyphenyl)-[(3-fluorophenyl)methyl]amino]benzoic acid

Systemtic Name: 3-[(3,4-dimethoxyphenyl)-[(3-fluorophenyl)methyl]amino]benzoic acid Openeye Name: 3-[N-[(3-fluorophenyl)methyl]-3,4-dimethoxy-anilino]benzoic acid CAS Name: 3-[N-[(3-fluorophenyl)methyl]-3,4-dimethoxyanilino]benzoic acid IUPAC Name: 3-[N-[(3-fluorophenyl)methyl]-3,4-dimethoxyanilino]benzoic acid Traditional Name: 3-(N-(3-fluorobenzyl)-3,4-dimethoxy-anilino)benzoic acid Formula: C22H20FNO4 MolecularWeight: 381.396903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20FNO4/c1-27-20-10-9-19(13-21(20)28-2)24(14-15-5-3-7-17(23)11-15)18-8-4-6-16(12-18)22(25)26/h3-13H,14H2,1-2H3,(H,25,26)