4-fluoranyl-3-[(2-methoxy-5-methyl-phenyl)methylamino]benzoic acid

Systemtic Name: 4-fluoranyl-3-[(2-methoxy-5-methyl-phenyl)methylamino]benzoic acid Openeye Name: 4-fluoro-3-[(2-methoxy-5-methyl-phenyl)methylamino]benzoic acid CAS Name: 4-fluoro-3-[(2-methoxy-5-methylphenyl)methylamino]benzoic acid IUPAC Name: 4-fluoro-3-[(2-methoxy-5-methylphenyl)methylamino]benzoic acid Traditional Name: 4-fluoro-3-[(2-methoxy-5-methyl-benzyl)amino]benzoic acid Formula: C16H16FNO3 MolecularWeight: 289.301543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CNC2=C(C=CC(=C2)C(=O)O)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CNC2=C(C=CC(=C2)C(=O)O)F

InChI

InChI=1S/C16H16FNO3/c1-10-3-6-15(21-2)12(7-10)9-18-14-8-11(16(19)20)4-5-13(14)17/h3-8,18H,9H2,1-2H3,(H,19,20)