3-[(2,4-dimethylphenyl)methylamino]-4-fluoranyl-benzoic acid

Systemtic Name: 3-[(2,4-dimethylphenyl)methylamino]-4-fluoranyl-benzoic acid Openeye Name: 3-[(2,4-dimethylphenyl)methylamino]-4-fluoro-benzoic acid CAS Name: 3-[(2,4-dimethylphenyl)methylamino]-4-fluorobenzoic acid IUPAC Name: 3-[(2,4-dimethylphenyl)methylamino]-4-fluorobenzoic acid Traditional Name: 3-[(2,4-dimethylbenzyl)amino]-4-fluoro-benzoic acid Formula: C16H16FNO2 MolecularWeight: 273.302143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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