3-[(4-dimethylaminophenyl)methylamino]-4-fluoranyl-benzoic acid

Systemtic Name: 3-[(4-dimethylaminophenyl)methylamino]-4-fluoranyl-benzoic acid Openeye Name: 3-[(4-dimethylaminophenyl)methylamino]-4-fluoro-benzoic acid CAS Name: 3-[(4-dimethylaminophenyl)methylamino]-4-fluorobenzoic acid IUPAC Name: 3-[(4-dimethylaminophenyl)methylamino]-4-fluorobenzoic acid Traditional Name: 3-[[4-(dimethylamino)benzyl]amino]-4-fluoro-benzoic acid Formula: C16H17FN2O2 MolecularWeight: 288.316783

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC2=C(C=CC(=C2)C(=O)O)F

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC2=C(C=CC(=C2)C(=O)O)F

InChI

InChI=1S/C16H17FN2O2/c1-19(2)13-6-3-11(4-7-13)10-18-15-9-12(16(20)21)5-8-14(15)17/h3-9,18H,10H2,1-2H3,(H,20,21)