5-[(2,4-dimethylphenyl)methylamino]-2-fluoranyl-benzoic acid

Systemtic Name: 5-[(2,4-dimethylphenyl)methylamino]-2-fluoranyl-benzoic acid Openeye Name: 5-[(2,4-dimethylphenyl)methylamino]-2-fluoro-benzoic acid CAS Name: 5-[(2,4-dimethylphenyl)methylamino]-2-fluorobenzoic acid IUPAC Name: 5-[(2,4-dimethylphenyl)methylamino]-2-fluorobenzoic acid Traditional Name: 5-[(2,4-dimethylbenzyl)amino]-2-fluoro-benzoic acid Formula: C16H16FNO2 MolecularWeight: 273.302143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16FNO2/c1-10-3-4-12(11(2)7-10)9-18-13-5-6-15(17)14(8-13)16(19)20/h3-8,18H,9H2,1-2H3,(H,19,20)