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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC2=C(C=CC(=C2)C(=O)O)F

Isomeric SMILES

CCC1=CC=C(C=C1)CNC2=C(C=CC(=C2)C(=O)O)F

InChI

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