4-[[(3-chloranyl-4-fluoranyl-phenyl)-methyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[(3-chloranyl-4-fluoranyl-phenyl)-methyl-amino]methyl]benzoic acid Openeye Name: 4-[(3-chloro-4-fluoro-N-methyl-anilino)methyl]benzoic acid CAS Name: 4-[(3-chloro-4-fluoro-N-methylanilino)methyl]benzoic acid IUPAC Name: 4-[(3-chloro-4-fluoro-N-methylanilino)methyl]benzoic acid Traditional Name: 4-[(3-chloro-4-fluoro-N-methyl-anilino)methyl]benzoic acid Formula: C15H13ClFNO2 MolecularWeight: 293.720623

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)O)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)O)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C15H13ClFNO2/c1-18(12-6-7-14(17)13(16)8-12)9-10-2-4-11(5-3-10)15(19)20/h2-8H,9H2,1H3,(H,19,20)